N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide

C47H50F4N8O6 — CID 154656004

IUPACN-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide
SMILESCC(COc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1)Cc1ccc(C(F)F)nc1C(=O)Nc1cn2cc(C3CCOCC3)nc2cc1OC1CCCC1
InChIInChI=1S/C47H50F4N8O6/c1-27(26-64-39-20-41-53-35(28-11-15-62-16-12-28)22-58(41)24-37(39)56-46(60)34-8-4-7-32(52-34)44(48)49)19-30-9-10-33(45(50)51)55-43(30)47(61)57-38-25-59-23-36(29-13-17-63-18-14-29)54-42(59)21-40(38)65-31-5-2-3-6-31/h4,7-10,20-25,27-29,31,44-45H,2-3,5-6,11-19,26H2,1H3,(H,56,60)(H,57,61)
InChIKeyDTMODDVFGRMPGH-UHFFFAOYSA-N
MW898.96 g/mol
LogP9.52
Rot. Bonds15

About N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide

N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 154656004) has the molecular formula C47H50F4N8O6 and a molecular weight of 898.96 g/mol. Its IUPAC name is N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide
PubChem CID154656004
Molecular FormulaC47H50F4N8O6
Molecular Weight898.96 g/mol
Exact Mass898.38
IUPAC NameN-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide
SMILESCC(COc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1)Cc1ccc(C(F)F)nc1C(=O)Nc1cn2cc(C3CCOCC3)nc2cc1OC1CCCC1
InChIInChI=1S/C47H50F4N8O6/c1-27(26-64-39-20-41-53-35(28-11-15-62-16-12-28)22-58(41)24-37(39)56-46(60)34-8-4-7-32(52-34)44(48)49)19-30-9-10-33(45(50)51)55-43(30)47(61)57-38-25-59-23-36(29-13-17-63-18-14-29)54-42(59)21-40(38)65-31-5-2-3-6-31/h4,7-10,20-25,27-29,31,44-45H,2-3,5-6,11-19,26H2,1H3,(H,56,60)(H,57,61)
InChIKeyDTMODDVFGRMPGH-UHFFFAOYSA-N
XLogP9.52
TPSA155.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500898.96
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide (CID 154656004) is N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide is CC(COc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1)Cc1ccc(C(F)F)nc1C(=O)Nc1cn2cc(C3CCOCC3)nc2cc1OC1CCCC1.
What is the InChIKey of N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is DTMODDVFGRMPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50F4N8O6/c1-27(26-64-39-20-41-53-35(28-11-15-62-16-12-28)22-58(41)24-37(39)56-46(60)34-8-4-7-32(52-34)44(48)49)19-30-9-10-33(45(50)51)55-43(30)47(61)57-38-25-59-23-36(29-13-17-63-18-14-29)54-42(59)21-40(38)65-31-5-2-3-6-31/h4,7-10,20-25,27-29,31,44-45H,2-3,5-6,11-19,26H2,1H3,(H,56,60)(H,57,61).
What are the key properties of N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide?
N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 898.96 g/mol, XLogP of 9.52, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 154656004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).