4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one

C80H79Cl3F2N20O4 — CID 159072349

IUPAC4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one
SMILESNCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)cc1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(F)c1F.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccccc1Cl
InChIInChI=1S/3C20H20ClN5O.C20H19F2N5O/c21-15-5-1-3-13(9-15)16(6-7-22)20(27)26-11-17-18(12-26)24-25-19(17)14-4-2-8-23-10-14;21-15-5-3-13(4-6-15)16(7-8-22)20(27)26-11-17-18(12-26)24-25-19(17)14-2-1-9-23-10-14;21-17-6-2-1-5-14(17)15(7-8-22)20(27)26-11-16-18(12-26)24-25-19(16)13-4-3-9-23-10-13;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/h1-5,8-10,16H,6-7,11-12,22H2,(H,24,25);1-6,9-10,16H,7-8,11-12,22H2,(H,24,25);1-6,9-10,15H,7-8,11-12,22H2,(H,24,25);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26)
InChIKeyJZUYZZZZBDFVPO-UHFFFAOYSA-N
MW1529.00 g/mol
LogP12.02
Rot. Bonds20

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

4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one (PubChem CID 159072349) has the molecular formula C80H79Cl3F2N20O4 and a molecular weight of 1529.00 g/mol. Its IUPAC name is 4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-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-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one
PubChem CID159072349
Molecular FormulaC80H79Cl3F2N20O4
Molecular Weight1529.00 g/mol
Exact Mass1526.56
IUPAC Name4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one
SMILESNCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)cc1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(F)c1F.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccccc1Cl
InChIInChI=1S/3C20H20ClN5O.C20H19F2N5O/c21-15-5-1-3-13(9-15)16(6-7-22)20(27)26-11-17-18(12-26)24-25-19(17)14-4-2-8-23-10-14;21-15-5-3-13(4-6-15)16(7-8-22)20(27)26-11-17-18(12-26)24-25-19(17)14-2-1-9-23-10-14;21-17-6-2-1-5-14(17)15(7-8-22)20(27)26-11-16-18(12-26)24-25-19(16)13-4-3-9-23-10-13;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/h1-5,8-10,16H,6-7,11-12,22H2,(H,24,25);1-6,9-10,16H,7-8,11-12,22H2,(H,24,25);1-6,9-10,15H,7-8,11-12,22H2,(H,24,25);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26)
InChIKeyJZUYZZZZBDFVPO-UHFFFAOYSA-N
XLogP12.02
TPSA351.60 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001529.00
LogP ≤ 512.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-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-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-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-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one (CID 159072349) is 4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-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-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-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-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one is NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccc(Cl)cc1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(Cl)c1.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1cccc(F)c1F.NCCC(C(=O)N1Cc2[nH]nc(-c3cccnc3)c2C1)c1ccccc1Cl.
What is the InChIKey of 4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one?
The InChIKey is JZUYZZZZBDFVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H20ClN5O.C20H19F2N5O/c21-15-5-1-3-13(9-15)16(6-7-22)20(27)26-11-17-18(12-26)24-25-19(17)14-4-2-8-23-10-14;21-15-5-3-13(4-6-15)16(7-8-22)20(27)26-11-17-18(12-26)24-25-19(17)14-2-1-9-23-10-14;21-17-6-2-1-5-14(17)15(7-8-22)20(27)26-11-16-18(12-26)24-25-19(16)13-4-3-9-23-10-13;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/h1-5,8-10,16H,6-7,11-12,22H2,(H,24,25);1-6,9-10,16H,7-8,11-12,22H2,(H,24,25);1-6,9-10,15H,7-8,11-12,22H2,(H,24,25);1-5,8-9,14H,6-7,10-11,23H2,(H,25,26).
What are the key properties of 4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one?
4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one has a molecular weight of 1529.00 g/mol, XLogP of 12.02, 20 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(3-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(4-chlorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one;4-amino-2-(2,3-difluorophenyl)-1-(3-pyridin-3-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)butan-1-one is sourced from PubChem (CID 159072349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).