(3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine

C20H21N7S — CID 72715211

IUPAC(3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
SMILESCc1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)sn1
InChIInChI=1S/C20H21N7S/c1-13-8-18(28-25-13)16-9-17-14(10-22-16)11-23-27(17)20-6-2-5-19(24-20)26-7-3-4-15(21)12-26/h2,5-6,8-11,15H,3-4,7,12,21H2,1H3/t15-/m0/s1
InChIKeyXDZHNVNYIFINOV-HNNXBMFYSA-N
MW391.50 g/mol
LogP3.17
Rot. Bonds3

About (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine

(3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (PubChem CID 72715211) has the molecular formula C20H21N7S and a molecular weight of 391.50 g/mol. Its IUPAC name is (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
PubChem CID72715211
Molecular FormulaC20H21N7S
Molecular Weight391.50 g/mol
Exact Mass391.16
IUPAC Name(3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
SMILESCc1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)sn1
InChIInChI=1S/C20H21N7S/c1-13-8-18(28-25-13)16-9-17-14(10-22-16)11-23-27(17)20-6-2-5-19(24-20)26-7-3-4-15(21)12-26/h2,5-6,8-11,15H,3-4,7,12,21H2,1H3/t15-/m0/s1
InChIKeyXDZHNVNYIFINOV-HNNXBMFYSA-N
XLogP3.17
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
(3S)-1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253383
5-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253391
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
(S)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253771
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253835
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-amine
CID 71253906
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
2-[4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazol-1-yl]acetonitrile
CID 71254188
1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
CID 72715291

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (CID 72715211) is (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is Cc1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)sn1.
What is the InChIKey of (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The InChIKey is XDZHNVNYIFINOV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N7S/c1-13-8-18(28-25-13)16-9-17-14(10-22-16)11-23-27(17)20-6-2-5-19(24-20)26-7-3-4-15(21)12-26/h2,5-6,8-11,15H,3-4,7,12,21H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
(3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine has a molecular weight of 391.50 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[6-(3-methyl-1,2-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 72715211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).