[(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol

C24H27N9O — CID 86707186

IUPAC[(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1
InChIInChI=1S/C24H27N9O/c34-16-18-3-2-8-32(18)24-15-26-14-20(29-24)19-11-21-17(12-27-19)13-28-33(21)23-5-1-4-22(30-23)31-9-6-25-7-10-31/h1,4-5,11-15,18,25,34H,2-3,6-10,16H2/t18-/m0/s1
InChIKeyDSEZYCNDQGVNMS-SFHVURJKSA-N
MW457.54 g/mol
LogP1.64
Rot. Bonds5

About [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 86707186) has the molecular formula C24H27N9O and a molecular weight of 457.54 g/mol. Its IUPAC name is [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID86707186
Molecular FormulaC24H27N9O
Molecular Weight457.54 g/mol
Exact Mass457.23
IUPAC Name[(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1
InChIInChI=1S/C24H27N9O/c34-16-18-3-2-8-32(18)24-15-26-14-20(29-24)19-11-21-17(12-27-19)13-28-33(21)23-5-1-4-22(30-23)31-9-6-25-7-10-31/h1,4-5,11-15,18,25,34H,2-3,6-10,16H2/t18-/m0/s1
InChIKeyDSEZYCNDQGVNMS-SFHVURJKSA-N
XLogP1.64
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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
Elenestinib
CID 155190269
US9266891, III-19
CID 90161075
(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-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)piperidin-4-yl)methanol
CID 11611915
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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol (CID 86707186) is [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1.
What is the InChIKey of [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is DSEZYCNDQGVNMS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N9O/c34-16-18-3-2-8-32(18)24-15-26-14-20(29-24)19-11-21-17(12-27-19)13-28-33(21)23-5-1-4-22(30-23)31-9-6-25-7-10-31/h1,4-5,11-15,18,25,34H,2-3,6-10,16H2/t18-/m0/s1.
What are the key properties of [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 457.54 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 86707186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).