1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide

C40H46F2N10O6 — CID 154655328

IUPAC1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1nn(C(F)F)cc1CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccn(C)n1
InChIInChI=1S/C40H46F2N10O6/c1-23(2)57-33-16-35-43-29(25-6-11-55-12-7-25)19-50(35)21-31(33)46-39(54)37-27(18-52(48-37)40(41)42)15-24(3)58-34-17-36-44-30(26-8-13-56-14-9-26)20-51(36)22-32(34)45-38(53)28-5-10-49(4)47-28/h5,10,16-26,40H,6-9,11-15H2,1-4H3,(H,45,53)(H,46,54)
InChIKeyHVYKFZKSWWTBQJ-UHFFFAOYSA-N
MW800.87 g/mol
LogP6.40
Rot. Bonds13

About 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide

1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide (PubChem CID 154655328) has the molecular formula C40H46F2N10O6 and a molecular weight of 800.87 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
PubChem CID154655328
Molecular FormulaC40H46F2N10O6
Molecular Weight800.87 g/mol
Exact Mass800.36
IUPAC Name1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1nn(C(F)F)cc1CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccn(C)n1
InChIInChI=1S/C40H46F2N10O6/c1-23(2)57-33-16-35-43-29(25-6-11-55-12-7-25)19-50(35)21-31(33)46-39(54)37-27(18-52(48-37)40(41)42)15-24(3)58-34-17-36-44-30(26-8-13-56-14-9-26)20-51(36)22-32(34)45-38(53)28-5-10-49(4)47-28/h5,10,16-26,40H,6-9,11-15H2,1-4H3,(H,45,53)(H,46,54)
InChIKeyHVYKFZKSWWTBQJ-UHFFFAOYSA-N
XLogP6.40
TPSA165.36 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.87
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide (CID 154655328) is 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide is CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1nn(C(F)F)cc1CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccn(C)n1.
What is the InChIKey of 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The InChIKey is HVYKFZKSWWTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46F2N10O6/c1-23(2)57-33-16-35-43-29(25-6-11-55-12-7-25)19-50(35)21-31(33)46-39(54)37-27(18-52(48-37)40(41)42)15-24(3)58-34-17-36-44-30(26-8-13-56-14-9-26)20-51(36)22-32(34)45-38(53)28-5-10-49(4)47-28/h5,10,16-26,40H,6-9,11-15H2,1-4H3,(H,45,53)(H,46,54).
What are the key properties of 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide has a molecular weight of 800.87 g/mol, XLogP of 6.40, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-[2-[6-[(1-methylpyrazole-3-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxypropyl]-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 154655328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).