(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

C18H20N6OS — CID 124941665

IUPAC(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1
InChIInChI=1S/C18H20N6OS/c1-12-9-14(21-18-19-5-8-26-18)10-16(20-12)13-3-7-24(11-13)17(25)15-4-6-23(2)22-15/h4-6,8-10,13H,3,7,11H2,1-2H3,(H,19,20,21)/t13-/m0/s1
InChIKeyAOYAEEFIJLHMRU-ZDUSSCGKSA-N
MW368.47 g/mol
LogP2.95
Rot. Bonds4

About (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 124941665) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID124941665
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1
InChIInChI=1S/C18H20N6OS/c1-12-9-14(21-18-19-5-8-26-18)10-16(20-12)13-3-7-24(11-13)17(25)15-4-6-23(2)22-15/h4-6,8-10,13H,3,7,11H2,1-2H3,(H,19,20,21)/t13-/m0/s1
InChIKeyAOYAEEFIJLHMRU-ZDUSSCGKSA-N
XLogP2.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110093556
[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110093546
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390
(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434
[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95828652
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
2-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125009792
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95845578
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 125008220
N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine
CID 110093562

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 124941665) is (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is AOYAEEFIJLHMRU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-9-14(21-18-19-5-8-26-18)10-16(20-12)13-3-7-24(11-13)17(25)15-4-6-23(2)22-15/h4-6,8-10,13H,3,7,11H2,1-2H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124941665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).