6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide

C43H43F2N9O7 — CID 155010245

IUPAC6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2nc1OC1CC1c1ccc(C(F)F)nc1C(=O)Nc1cc(OC)c2nc(CC3CCOCC3)cn2c1
InChIInChI=1S/C43H43F2N9O7/c1-42-20-43(21-42,22-60-42)33-19-54-18-30(50-37(55)27-5-4-10-46-39(27)58-3)40(52-41(54)51-33)61-31-15-28(31)26-6-7-29(35(44)45)49-34(26)38(56)48-25-14-32(57-2)36-47-24(16-53(36)17-25)13-23-8-11-59-12-9-23/h4-7,10,14,16-19,23,28,31,35H,8-9,11-13,15,20-22H2,1-3H3,(H,48,56)(H,50,55)
InChIKeyZQLAUEFXOVDCDC-UHFFFAOYSA-N
MW835.87 g/mol
LogP6.35
Rot. Bonds13

About 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide (PubChem CID 155010245) has the molecular formula C43H43F2N9O7 and a molecular weight of 835.87 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide
PubChem CID155010245
Molecular FormulaC43H43F2N9O7
Molecular Weight835.87 g/mol
Exact Mass835.33
IUPAC Name6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2nc1OC1CC1c1ccc(C(F)F)nc1C(=O)Nc1cc(OC)c2nc(CC3CCOCC3)cn2c1
InChIInChI=1S/C43H43F2N9O7/c1-42-20-43(21-42,22-60-42)33-19-54-18-30(50-37(55)27-5-4-10-46-39(27)58-3)40(52-41(54)51-33)61-31-15-28(31)26-6-7-29(35(44)45)49-34(26)38(56)48-25-14-32(57-2)36-47-24(16-53(36)17-25)13-23-8-11-59-12-9-23/h4-7,10,14,16-19,23,28,31,35H,8-9,11-13,15,20-22H2,1-3H3,(H,48,56)(H,50,55)
InChIKeyZQLAUEFXOVDCDC-UHFFFAOYSA-N
XLogP6.35
TPSA177.62 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500835.87
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide 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 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide (CID 155010245) is 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide is COc1ncccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2nc1OC1CC1c1ccc(C(F)F)nc1C(=O)Nc1cc(OC)c2nc(CC3CCOCC3)cn2c1.
What is the InChIKey of 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide?
The InChIKey is ZQLAUEFXOVDCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43F2N9O7/c1-42-20-43(21-42,22-60-42)33-19-54-18-30(50-37(55)27-5-4-10-46-39(27)58-3)40(52-41(54)51-33)61-31-15-28(31)26-6-7-29(35(44)45)49-34(26)38(56)48-25-14-32(57-2)36-47-24(16-53(36)17-25)13-23-8-11-59-12-9-23/h4-7,10,14,16-19,23,28,31,35H,8-9,11-13,15,20-22H2,1-3H3,(H,48,56)(H,50,55).
What are the key properties of 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide has a molecular weight of 835.87 g/mol, XLogP of 6.35, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[6-[(2-methoxypyridine-3-carbonyl)amino]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-7-yl]oxycyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 155010245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).