(2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C15H19ClN6O2 — CID 171686252

IUPAC(2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCOc1ncc(Cl)cc1-c1n[nH]c2c1CN(C(=O)[C@@H](N)CN)CC2
InChIInChI=1S/C15H19ClN6O2/c1-24-14-9(4-8(16)6-19-14)13-10-7-22(15(23)11(18)5-17)3-2-12(10)20-21-13/h4,6,11H,2-3,5,7,17-18H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyQABXUUOHTAUHRF-NSHDSACASA-N
MW350.81 g/mol
LogP0.30
Rot. Bonds4

About (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one

(2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 171686252) has the molecular formula C15H19ClN6O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID171686252
Molecular FormulaC15H19ClN6O2
Molecular Weight350.81 g/mol
Exact Mass350.13
IUPAC Name(2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCOc1ncc(Cl)cc1-c1n[nH]c2c1CN(C(=O)[C@@H](N)CN)CC2
InChIInChI=1S/C15H19ClN6O2/c1-24-14-9(4-8(16)6-19-14)13-10-7-22(15(23)11(18)5-17)3-2-12(10)20-21-13/h4,6,11H,2-3,5,7,17-18H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyQABXUUOHTAUHRF-NSHDSACASA-N
XLogP0.30
TPSA123.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one with MolForge

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Related Compounds

2-methylpropyl 3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108726019
(2R)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-4-methylpentan-1-one
CID 95552162
(2S)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 56745050
ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725868
[3-(5-chloro-2,4-dihydroxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(1S,3R)-3-methoxycyclohexyl]methanone
CID 136500482
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dimethoxyphenyl)methanone
CID 108750140
(2R)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 56754577
prop-2-enyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725865
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
(2S)-2-amino-3,3-dimethyl-1-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 56747347
2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 56750876
2-(3-methoxyphenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 56942656

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The IUPAC name of (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 171686252) is (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one is COc1ncc(Cl)cc1-c1n[nH]c2c1CN(C(=O)[C@@H](N)CN)CC2.
What is the InChIKey of (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is QABXUUOHTAUHRF-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN6O2/c1-24-14-9(4-8(16)6-19-14)13-10-7-22(15(23)11(18)5-17)3-2-12(10)20-21-13/h4,6,11H,2-3,5,7,17-18H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
(2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 350.81 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-diamino-1-[3-(5-chloro-2-methoxy-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 171686252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).