(2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol

C19H19ClN6O — CID 167014566

IUPAC(2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol
SMILESC[C@@H](CO)Nc1n[nH]c2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C19H19ClN6O/c1-11(10-27)22-19-15-7-16(12-3-5-14(20)6-4-12)23-17(18(15)24-25-19)13-8-21-26(2)9-13/h3-9,11,27H,10H2,1-2H3,(H2,22,24,25)/t11-/m0/s1
InChIKeyNDPDLTLGMQTYKI-NSHDSACASA-N
MW382.86 g/mol
LogP3.47
Rot. Bonds5

About (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol

(2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol (PubChem CID 167014566) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol
PubChem CID167014566
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name(2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol
SMILESC[C@@H](CO)Nc1n[nH]c2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C19H19ClN6O/c1-11(10-27)22-19-15-7-16(12-3-5-14(20)6-4-12)23-17(18(15)24-25-19)13-8-21-26(2)9-13/h3-9,11,27H,10H2,1-2H3,(H2,22,24,25)/t11-/m0/s1
InChIKeyNDPDLTLGMQTYKI-NSHDSACASA-N
XLogP3.47
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol with MolForge

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Related Compounds

N-(3-chloro-1-ethylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198103
1-[6-[(4-chlorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
CID 168237668
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555838
(2S)-2-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137634382
6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine
CID 155533307
(2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol
CID 164612470
(2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 164614171
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol
CID 164622628
N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53374310
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea
CID 118380769
1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118380787
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118380873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol (CID 167014566) is (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol is C[C@@H](CO)Nc1n[nH]c2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol?
The InChIKey is NDPDLTLGMQTYKI-NSHDSACASA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-11(10-27)22-19-15-7-16(12-3-5-14(20)6-4-12)23-17(18(15)24-25-19)13-8-21-26(2)9-13/h3-9,11,27H,10H2,1-2H3,(H2,22,24,25)/t11-/m0/s1.
What are the key properties of (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol?
(2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol has a molecular weight of 382.86 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 167014566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).