5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine

C34H40F4N8O — CID 175132096

IUPAC5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOCC1(CN(C)c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)nc3nc(-c4cnc(N5CC[C@@H](C)[C@H](F)C5)cn4)[nH]c23)CCCC1
InChIInChI=1S/C34H40F4N8O/c1-20-8-11-46(17-23(20)35)29-16-39-26(15-40-29)31-43-30-27(45(2)18-33(19-47-3)9-4-5-10-33)14-25(42-32(30)44-31)22-12-24(21-6-7-21)41-28(13-22)34(36,37)38/h12-16,20-21,23H,4-11,17-19H2,1-3H3,(H,42,43,44)/t20-,23-/m1/s1
InChIKeyHQBJVMFGEBMCEP-NFBKMPQASA-N
MW652.74 g/mol
LogP7.20
Rot. Bonds9

About 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine

5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 175132096) has the molecular formula C34H40F4N8O and a molecular weight of 652.74 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID175132096
Molecular FormulaC34H40F4N8O
Molecular Weight652.74 g/mol
Exact Mass652.33
IUPAC Name5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOCC1(CN(C)c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)nc3nc(-c4cnc(N5CC[C@@H](C)[C@H](F)C5)cn4)[nH]c23)CCCC1
InChIInChI=1S/C34H40F4N8O/c1-20-8-11-46(17-23(20)35)29-16-39-26(15-40-29)31-43-30-27(45(2)18-33(19-47-3)9-4-5-10-33)14-25(42-32(30)44-31)22-12-24(21-6-7-21)41-28(13-22)34(36,37)38/h12-16,20-21,23H,4-11,17-19H2,1-3H3,(H,42,43,44)/t20-,23-/m1/s1
InChIKeyHQBJVMFGEBMCEP-NFBKMPQASA-N
XLogP7.20
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.74
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine (CID 175132096) is 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine is COCC1(CN(C)c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)nc3nc(-c4cnc(N5CC[C@@H](C)[C@H](F)C5)cn4)[nH]c23)CCCC1.
What is the InChIKey of 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is HQBJVMFGEBMCEP-NFBKMPQASA-N. The full InChI is InChI=1S/C34H40F4N8O/c1-20-8-11-46(17-23(20)35)29-16-39-26(15-40-29)31-43-30-27(45(2)18-33(19-47-3)9-4-5-10-33)14-25(42-32(30)44-31)22-12-24(21-6-7-21)41-28(13-22)34(36,37)38/h12-16,20-21,23H,4-11,17-19H2,1-3H3,(H,42,43,44)/t20-,23-/m1/s1.
What are the key properties of 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 652.74 g/mol, XLogP of 7.20, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-2-[5-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]pyrazin-2-yl]-N-[[1-(methoxymethyl)cyclopentyl]methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 175132096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).