2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide

C24H24FN7O3S — CID 171636952

IUPAC2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(F)cc1-n1cc(N(c2nc(C(N)=O)c(-c3cc(C(=O)N(C)C)c[nH]3)s2)C2CC2)cn1
InChIInChI=1S/C24H24FN7O3S/c1-30(2)23(34)13-8-17(27-10-13)21-20(22(26)33)29-24(36-21)32(15-5-6-15)16-11-28-31(12-16)18-9-14(25)4-7-19(18)35-3/h4,7-12,15,27H,5-6H2,1-3H3,(H2,26,33)
InChIKeyMNRLPFYZICCLMG-UHFFFAOYSA-N
MW509.57 g/mol
LogP3.57
Rot. Bonds8

About 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide

2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 171636952) has the molecular formula C24H24FN7O3S and a molecular weight of 509.57 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID171636952
Molecular FormulaC24H24FN7O3S
Molecular Weight509.57 g/mol
Exact Mass509.16
IUPAC Name2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(F)cc1-n1cc(N(c2nc(C(N)=O)c(-c3cc(C(=O)N(C)C)c[nH]3)s2)C2CC2)cn1
InChIInChI=1S/C24H24FN7O3S/c1-30(2)23(34)13-8-17(27-10-13)21-20(22(26)33)29-24(36-21)32(15-5-6-15)16-11-28-31(12-16)18-9-14(25)4-7-19(18)35-3/h4,7-12,15,27H,5-6H2,1-3H3,(H2,26,33)
InChIKeyMNRLPFYZICCLMG-UHFFFAOYSA-N
XLogP3.57
TPSA122.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide (CID 171636952) is 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide is COc1ccc(F)cc1-n1cc(N(c2nc(C(N)=O)c(-c3cc(C(=O)N(C)C)c[nH]3)s2)C2CC2)cn1.
What is the InChIKey of 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is MNRLPFYZICCLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O3S/c1-30(2)23(34)13-8-17(27-10-13)21-20(22(26)33)29-24(36-21)32(15-5-6-15)16-11-28-31(12-16)18-9-14(25)4-7-19(18)35-3/h4,7-12,15,27H,5-6H2,1-3H3,(H2,26,33).
What are the key properties of 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide?
2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 509.57 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171636952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).