2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid

C33H37F3N8O4 — CID 164900653

IUPAC2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOCC1(CN(C)c2cc(-c3cnc(C4CC4)c(C(F)(F)F)c3)nc3nc(NC(=O)c4cc5n(n4)CCC(C(=O)O)C5)[nH]c23)CCCC1
InChIInChI=1S/C33H37F3N8O4/c1-43(16-32(17-48-2)8-3-4-9-32)25-14-23(20-12-22(33(34,35)36)26(37-15-20)18-5-6-18)38-28-27(25)39-31(40-28)41-29(45)24-13-21-11-19(30(46)47)7-10-44(21)42-24/h12-15,18-19H,3-11,16-17H2,1-2H3,(H,46,47)(H2,38,39,40,41,45)
InChIKeyWSWBTZJQTTZPKD-UHFFFAOYSA-N
MW666.71 g/mol
LogP5.65
Rot. Bonds10

About 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid

2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 164900653) has the molecular formula C33H37F3N8O4 and a molecular weight of 666.71 g/mol. Its IUPAC name is 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID164900653
Molecular FormulaC33H37F3N8O4
Molecular Weight666.71 g/mol
Exact Mass666.29
IUPAC Name2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOCC1(CN(C)c2cc(-c3cnc(C4CC4)c(C(F)(F)F)c3)nc3nc(NC(=O)c4cc5n(n4)CCC(C(=O)O)C5)[nH]c23)CCCC1
InChIInChI=1S/C33H37F3N8O4/c1-43(16-32(17-48-2)8-3-4-9-32)25-14-23(20-12-22(33(34,35)36)26(37-15-20)18-5-6-18)38-28-27(25)39-31(40-28)41-29(45)24-13-21-11-19(30(46)47)7-10-44(21)42-24/h12-15,18-19H,3-11,16-17H2,1-2H3,(H,46,47)(H2,38,39,40,41,45)
InChIKeyWSWBTZJQTTZPKD-UHFFFAOYSA-N
XLogP5.65
TPSA151.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.71
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid (CID 164900653) is 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid is COCC1(CN(C)c2cc(-c3cnc(C4CC4)c(C(F)(F)F)c3)nc3nc(NC(=O)c4cc5n(n4)CCC(C(=O)O)C5)[nH]c23)CCCC1.
What is the InChIKey of 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is WSWBTZJQTTZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N8O4/c1-43(16-32(17-48-2)8-3-4-9-32)25-14-23(20-12-22(33(34,35)36)26(37-15-20)18-5-6-18)38-28-27(25)39-31(40-28)41-29(45)24-13-21-11-19(30(46)47)7-10-44(21)42-24/h12-15,18-19H,3-11,16-17H2,1-2H3,(H,46,47)(H2,38,39,40,41,45).
What are the key properties of 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 666.71 g/mol, XLogP of 5.65, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[6-cyclopropyl-5-(trifluoromethyl)-3-pyridinyl]-7-[[1-(methoxymethyl)cyclopentyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 164900653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).