8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C22H21F2N9OS — CID 166812372

IUPAC8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cnc(-c2cnc3c(-n4nncc4C(C)(F)F)cc(C(=O)NCC4=CNC(C)N=C4)cn23)s1
InChIInChI=1S/C22H21F2N9OS/c1-12-5-29-21(35-12)17-9-27-19-16(33-18(10-30-31-33)22(3,23)24)4-15(11-32(17)19)20(34)28-8-14-6-25-13(2)26-7-14/h4-7,9-11,13,25H,8H2,1-3H3,(H,28,34)
InChIKeySAKLFUXJDWJCIA-UHFFFAOYSA-N
MW497.54 g/mol
LogP3.09
Rot. Bonds6

About 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 166812372) has the molecular formula C22H21F2N9OS and a molecular weight of 497.54 g/mol. Its IUPAC name is 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID166812372
Molecular FormulaC22H21F2N9OS
Molecular Weight497.54 g/mol
Exact Mass497.16
IUPAC Name8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cnc(-c2cnc3c(-n4nncc4C(C)(F)F)cc(C(=O)NCC4=CNC(C)N=C4)cn23)s1
InChIInChI=1S/C22H21F2N9OS/c1-12-5-29-21(35-12)17-9-27-19-16(33-18(10-30-31-33)22(3,23)24)4-15(11-32(17)19)20(34)28-8-14-6-25-13(2)26-7-14/h4-7,9-11,13,25H,8H2,1-3H3,(H,28,34)
InChIKeySAKLFUXJDWJCIA-UHFFFAOYSA-N
XLogP3.09
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 166812372) is 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1cnc(-c2cnc3c(-n4nncc4C(C)(F)F)cc(C(=O)NCC4=CNC(C)N=C4)cn23)s1.
What is the InChIKey of 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is SAKLFUXJDWJCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N9OS/c1-12-5-29-21(35-12)17-9-27-19-16(33-18(10-30-31-33)22(3,23)24)4-15(11-32(17)19)20(34)28-8-14-6-25-13(2)26-7-14/h4-7,9-11,13,25H,8H2,1-3H3,(H,28,34).
What are the key properties of 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 497.54 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methyl-1,2-dihydropyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 166812372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).