[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C20H23N7O — CID 95842777

IUPAC[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1
InChIInChI=1S/C20H23N7O/c28-20(19-13-6-1-2-7-14(13)23-26-19)27-11-5-8-16(27)15-12-18(25-24-15)22-17-9-3-4-10-21-17/h3-4,9-10,12,16H,1-2,5-8,11H2,(H,23,26)(H2,21,22,24,25)/t16-/m0/s1
InChIKeyQKEZZKZBOOTUEH-INIZCTEOSA-N
MW377.45 g/mol
LogP3.13
Rot. Bonds4

About [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 95842777) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID95842777
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1
InChIInChI=1S/C20H23N7O/c28-20(19-13-6-1-2-7-14(13)23-26-19)27-11-5-8-16(27)15-12-18(25-24-15)22-17-9-3-4-10-21-17/h3-4,9-10,12,16H,1-2,5-8,11H2,(H,23,26)(H2,21,22,24,25)/t16-/m0/s1
InChIKeyQKEZZKZBOOTUEH-INIZCTEOSA-N
XLogP3.13
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95838089
3-(4-chlorophenyl)-1-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 95838093
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56875753
tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 110269760
phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone
CID 110607617
[(2R)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 124993015
(2-pyridin-4-ylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 102554294
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 99871123
phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95815306
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95752169
1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl-[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95832706
N-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)pyridin-2-amine
CID 155906949

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 95842777) is [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1.
What is the InChIKey of [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is QKEZZKZBOOTUEH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N7O/c28-20(19-13-6-1-2-7-14(13)23-26-19)27-11-5-8-16(27)15-12-18(25-24-15)22-17-9-3-4-10-21-17/h3-4,9-10,12,16H,1-2,5-8,11H2,(H,23,26)(H2,21,22,24,25)/t16-/m0/s1.
What are the key properties of [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 95842777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).