4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide

C19H18FN9OS — CID 140945206

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1
InChIInChI=1S/C19H18FN9OS/c1-10(2)29-17(25-26-27-29)19-24-16(8-31-19)23-18(30)13-5-15(12(20)6-21-13)28-7-14(22-9-28)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,23,30)
InChIKeyBPHHGRSFONPMBF-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.23
Rot. Bonds6

About 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 140945206) has the molecular formula C19H18FN9OS and a molecular weight of 439.48 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID140945206
Molecular FormulaC19H18FN9OS
Molecular Weight439.48 g/mol
Exact Mass439.13
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1
InChIInChI=1S/C19H18FN9OS/c1-10(2)29-17(25-26-27-29)19-24-16(8-31-19)23-18(30)13-5-15(12(20)6-21-13)28-7-14(22-9-28)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,23,30)
InChIKeyBPHHGRSFONPMBF-UHFFFAOYSA-N
XLogP3.23
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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)-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
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
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)-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
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-[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
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(hydroxymethyl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]benzamide
CID 135376044
4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide
CID 126761918
5-bromo-2-fluoro-4-methylbenzoic acid;(5-bromo-2-fluoro-4-methylphenyl)methanol;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
CID 159722539
2-cyclopropyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 138507426

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 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) is 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide is CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is BPHHGRSFONPMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN9OS/c1-10(2)29-17(25-26-27-29)19-24-16(8-31-19)23-18(30)13-5-15(12(20)6-21-13)28-7-14(22-9-28)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,23,30).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 140945206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).