4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C25H26F3N9O2S — CID 118159061

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCOC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C(C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1
InChIInChI=1S/C25H26F3N9O2S/c1-14(25(26,27)28)37-13-31-34-22(37)24-33-21(11-40-24)32-23(38)17-7-19(36-10-18(30-12-36)15-3-4-15)20(8-29-17)35-6-5-16(9-35)39-2/h7-8,10-16H,3-6,9H2,1-2H3,(H,32,38)
InChIKeyOLVJZBVBICDNDZ-UHFFFAOYSA-N
MW573.61 g/mol
LogP4.46
Rot. Bonds8

About 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 118159061) has the molecular formula C25H26F3N9O2S and a molecular weight of 573.61 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID118159061
Molecular FormulaC25H26F3N9O2S
Molecular Weight573.61 g/mol
Exact Mass573.19
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCOC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C(C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1
InChIInChI=1S/C25H26F3N9O2S/c1-14(25(26,27)28)37-13-31-34-22(37)24-33-21(11-40-24)32-23(38)17-7-19(36-10-18(30-12-36)15-3-4-15)20(8-29-17)35-6-5-16(9-35)39-2/h7-8,10-16H,3-6,9H2,1-2H3,(H,32,38)
InChIKeyOLVJZBVBICDNDZ-UHFFFAOYSA-N
XLogP4.46
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(4-cyclopropylimidazol-1-yl)-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 118159051
4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 123950153
4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 126761868
4-(4-cyclopropylimidazol-1-yl)-5-(4-methylpiperidin-1-yl)-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 140945194
4-(4-cyclopropylimidazol-1-yl)-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 118159091
4-bromo-5-methyl-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 66629050
4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 140945206
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide
CID 147621394
4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine
CID 159244119
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;5-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(4-cyclopropylimidazol-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxy-4-methylpiperidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(1,4-oxazepan-4-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 159272683
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 66851754
N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine
CID 138547474

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 118159061) is 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C(C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is OLVJZBVBICDNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N9O2S/c1-14(25(26,27)28)37-13-31-34-22(37)24-33-21(11-40-24)32-23(38)17-7-19(36-10-18(30-12-36)15-3-4-15)20(8-29-17)35-6-5-16(9-35)39-2/h7-8,10-16H,3-6,9H2,1-2H3,(H,32,38).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 573.61 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118159061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).