(3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one

C19H22F2N4O — CID 23645934

IUPAC(3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCc2c(C3CC3)n[nH]c2C1)Cc1cc(F)ccc1F
InChIInChI=1S/C19H22F2N4O/c20-13-3-4-16(21)12(7-13)8-14(22)9-18(26)25-6-5-15-17(10-25)23-24-19(15)11-1-2-11/h3-4,7,11,14H,1-2,5-6,8-10,22H2,(H,23,24)/t14-/m1/s1
InChIKeyWEALCGSKAOFUDP-CQSZACIVSA-N
MW360.41 g/mol
LogP2.41
Rot. Bonds5

About (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one

(3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one (PubChem CID 23645934) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one
PubChem CID23645934
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCc2c(C3CC3)n[nH]c2C1)Cc1cc(F)ccc1F
InChIInChI=1S/C19H22F2N4O/c20-13-3-4-16(21)12(7-13)8-14(22)9-18(26)25-6-5-15-17(10-25)23-24-19(15)11-1-2-11/h3-4,7,11,14H,1-2,5-6,8-10,22H2,(H,23,24)/t14-/m1/s1
InChIKeyWEALCGSKAOFUDP-CQSZACIVSA-N
XLogP2.41
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one?
The IUPAC name of (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one (CID 23645934) is (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one.
What is the SMILES notation for (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one?
The canonical SMILES for (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one is N[C@@H](CC(=O)N1CCc2c(C3CC3)n[nH]c2C1)Cc1cc(F)ccc1F.
What is the InChIKey of (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one?
The InChIKey is WEALCGSKAOFUDP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22F2N4O/c20-13-3-4-16(21)12(7-13)8-14(22)9-18(26)25-6-5-15-17(10-25)23-24-19(15)11-1-2-11/h3-4,7,11,14H,1-2,5-6,8-10,22H2,(H,23,24)/t14-/m1/s1.
What are the key properties of (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one?
(3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one has a molecular weight of 360.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-4-(2,5-difluorophenyl)butan-1-one is sourced from PubChem (CID 23645934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).