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

C26H26FN7O4S — CID 171636959

IUPAC2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(F)cc1-n1cc(N(c2nc(C(N)=O)c(-c3cc(C(=O)N4CCOCC4)c[nH]3)s2)C2CC2)cn1
InChIInChI=1S/C26H26FN7O4S/c1-37-21-5-2-16(27)11-20(21)33-14-18(13-30-33)34(17-3-4-17)26-31-22(24(28)35)23(39-26)19-10-15(12-29-19)25(36)32-6-8-38-9-7-32/h2,5,10-14,17,29H,3-4,6-9H2,1H3,(H2,28,35)
InChIKeyORKHDTQDUDBXBA-UHFFFAOYSA-N
MW551.60 g/mol
LogP3.34
Rot. Bonds8

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

2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 171636959) has the molecular formula C26H26FN7O4S and a molecular weight of 551.60 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID171636959
Molecular FormulaC26H26FN7O4S
Molecular Weight551.60 g/mol
Exact Mass551.18
IUPAC Name2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(F)cc1-n1cc(N(c2nc(C(N)=O)c(-c3cc(C(=O)N4CCOCC4)c[nH]3)s2)C2CC2)cn1
InChIInChI=1S/C26H26FN7O4S/c1-37-21-5-2-16(27)11-20(21)33-14-18(13-30-33)34(17-3-4-17)26-31-22(24(28)35)23(39-26)19-10-15(12-29-19)25(36)32-6-8-38-9-7-32/h2,5,10-14,17,29H,3-4,6-9H2,1H3,(H2,28,35)
InChIKeyORKHDTQDUDBXBA-UHFFFAOYSA-N
XLogP3.34
TPSA131.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.60
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide with MolForge

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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-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide (CID 171636959) is 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide is COc1ccc(F)cc1-n1cc(N(c2nc(C(N)=O)c(-c3cc(C(=O)N4CCOCC4)c[nH]3)s2)C2CC2)cn1.
What is the InChIKey of 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ORKHDTQDUDBXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O4S/c1-37-21-5-2-16(27)11-20(21)33-14-18(13-30-33)34(17-3-4-17)26-31-22(24(28)35)23(39-26)19-10-15(12-29-19)25(36)32-6-8-38-9-7-32/h2,5,10-14,17,29H,3-4,6-9H2,1H3,(H2,28,35).
What are the key properties of 2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide?
2-[cyclopropyl-[1-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]amino]-5-[4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 551.60 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171636959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).