4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one

C101H98Cl7F2N25O5 — CID 158933851

IUPAC4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one
SMILESCc1ccc(C(CCN)C(=O)N2Cc3[nH]nc(-c4cccnc4)c3C2)cc1Cl.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)c(F)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1Cl.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1F
InChIInChI=1S/C21H22ClN5O.2C20H19Cl2N5O.2C20H19ClFN5O/c1-13-4-5-14(9-18(13)22)16(6-7-23)21(28)27-11-17-19(12-27)25-26-20(17)15-3-2-8-24-10-15;21-16-5-1-4-13(18(16)22)14(6-7-23)20(28)27-10-15-17(11-27)25-26-19(15)12-3-2-8-24-9-12;21-16-4-3-12(8-17(16)22)14(5-6-23)20(28)27-10-15-18(11-27)25-26-19(15)13-2-1-7-24-9-13;21-16-5-1-4-13(18(16)22)14(6-7-23)20(28)27-10-15-17(11-27)25-26-19(15)12-3-2-8-24-9-12;21-16-4-3-12(8-17(16)22)14(5-6-23)20(28)27-10-15-18(11-27)25-26-19(15)13-2-1-7-24-9-13/h2-5,8-10,16H,6-7,11-12,23H2,1H3,(H,25,26);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26);1-4,7-9,14H,5-6,10-11,23H2,(H,25,26);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26);1-4,7-9,14H,5-6,10-11,23H2,(H,25,26)
InChIKeyJJKDXDFQGTVWKU-UHFFFAOYSA-N
MW2028.23 g/mol
LogP17.39
Rot. Bonds25

About 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one

4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one (PubChem CID 158933851) has the molecular formula C101H98Cl7F2N25O5 and a molecular weight of 2028.23 g/mol. Its IUPAC name is 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one
PubChem CID158933851
Molecular FormulaC101H98Cl7F2N25O5
Molecular Weight2028.23 g/mol
Exact Mass2023.60
IUPAC Name4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one
SMILESCc1ccc(C(CCN)C(=O)N2Cc3[nH]nc(-c4cccnc4)c3C2)cc1Cl.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)c(F)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1Cl.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1F
InChIInChI=1S/C21H22ClN5O.2C20H19Cl2N5O.2C20H19ClFN5O/c1-13-4-5-14(9-18(13)22)16(6-7-23)21(28)27-11-17-19(12-27)25-26-20(17)15-3-2-8-24-10-15;21-16-5-1-4-13(18(16)22)14(6-7-23)20(28)27-10-15-17(11-27)25-26-19(15)12-3-2-8-24-9-12;21-16-4-3-12(8-17(16)22)14(5-6-23)20(28)27-10-15-18(11-27)25-26-19(15)13-2-1-7-24-9-13;21-16-5-1-4-13(18(16)22)14(6-7-23)20(28)27-10-15-17(11-27)25-26-19(15)12-3-2-8-24-9-12;21-16-4-3-12(8-17(16)22)14(5-6-23)20(28)27-10-15-18(11-27)25-26-19(15)13-2-1-7-24-9-13/h2-5,8-10,16H,6-7,11-12,23H2,1H3,(H,25,26);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26);1-4,7-9,14H,5-6,10-11,23H2,(H,25,26);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26);1-4,7-9,14H,5-6,10-11,23H2,(H,25,26)
InChIKeyJJKDXDFQGTVWKU-UHFFFAOYSA-N
XLogP17.39
TPSA439.50 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002028.23
LogP ≤ 517.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one?
The IUPAC name of 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one (CID 158933851) is 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one.
What is the SMILES notation for 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one?
The canonical SMILES for 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one is Cc1ccc(C(CCN)C(=O)N2Cc3[nH]nc(-c4cccnc4)c3C2)cc1Cl.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)c(F)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1Cl.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1F.
What is the InChIKey of 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one?
The InChIKey is JJKDXDFQGTVWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O.2C20H19Cl2N5O.2C20H19ClFN5O/c1-13-4-5-14(9-18(13)22)16(6-7-23)21(28)27-11-17-19(12-27)25-26-20(17)15-3-2-8-24-10-15;21-16-5-1-4-13(18(16)22)14(6-7-23)20(28)27-10-15-17(11-27)25-26-19(15)12-3-2-8-24-9-12;21-16-4-3-12(8-17(16)22)14(5-6-23)20(28)27-10-15-18(11-27)25-26-19(15)13-2-1-7-24-9-13;21-16-5-1-4-13(18(16)22)14(6-7-23)20(28)27-10-15-17(11-27)25-26-19(15)12-3-2-8-24-9-12;21-16-4-3-12(8-17(16)22)14(5-6-23)20(28)27-10-15-18(11-27)25-26-19(15)13-2-1-7-24-9-13/h2-5,8-10,16H,6-7,11-12,23H2,1H3,(H,25,26);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26);1-4,7-9,14H,5-6,10-11,23H2,(H,25,26);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26);1-4,7-9,14H,5-6,10-11,23H2,(H,25,26).
What are the key properties of 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one?
4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one has a molecular weight of 2028.23 g/mol, XLogP of 17.39, 25 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-chloro-2-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chloro-4-methylphenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3,4-dichlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one is sourced from PubChem (CID 158933851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).