(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine

C24H26N8O — CID 72714674

IUPAC(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cc(C3COC3)cc(N3CCC[C@H](N)C3)n2)n1
InChIInChI=1S/C24H26N8O/c1-15-8-26-11-21(29-15)20-7-22-17(9-27-20)10-28-32(22)24-6-16(18-13-33-14-18)5-23(30-24)31-4-2-3-19(25)12-31/h5-11,18-19H,2-4,12-14,25H2,1H3/t19-/m0/s1
InChIKeyFALXVTLWNUJCKA-IBGZPJMESA-N
MW442.53 g/mol
LogP2.62
Rot. Bonds4

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

(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine (PubChem CID 72714674) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine
PubChem CID72714674
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cc(C3COC3)cc(N3CCC[C@H](N)C3)n2)n1
InChIInChI=1S/C24H26N8O/c1-15-8-26-11-21(29-15)20-7-22-17(9-27-20)10-28-32(22)24-6-16(18-13-33-14-18)5-23(30-24)31-4-2-3-19(25)12-31/h5-11,18-19H,2-4,12-14,25H2,1H3/t19-/m0/s1
InChIKeyFALXVTLWNUJCKA-IBGZPJMESA-N
XLogP2.62
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
(S)-1-(6-(3-methylpiperazin-1-yl)pyridin-2-yl)-6-(5-(oxetan-3-yl)pyridin-3-yl)-1H-pyrazolo[4,3-c]pyridine
CID 72715135
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
6-(6-Ethynylpyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 89914096
5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11647832
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888595
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888597
1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-ylmethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888659
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine (CID 72714674) is (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine is Cc1cncc(-c2cc3c(cn2)cnn3-c2cc(C3COC3)cc(N3CCC[C@H](N)C3)n2)n1.
What is the InChIKey of (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is FALXVTLWNUJCKA-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N8O/c1-15-8-26-11-21(29-15)20-7-22-17(9-27-20)10-28-32(22)24-6-16(18-13-33-14-18)5-23(30-24)31-4-2-3-19(25)12-31/h5-11,18-19H,2-4,12-14,25H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine?
(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 442.53 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-4-(oxetan-3-yl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 72714674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).