1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide

C34H37F4N5O5 — CID 176972738

IUPAC1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc(OC(F)F)cc2C(=O)N2CC(F)(F)C2)cc(C2CC2)n1)C1=CC(CNC[C@@H]2CCCO2)=CN(C2CC2)C1O
InChIInChI=1S/C34H37F4N5O5/c35-33(36)48-23-7-8-25(26(13-23)31(45)42-17-34(37,38)18-42)21-11-28(20-3-4-20)40-29(12-21)41-30(44)27-10-19(14-39-15-24-2-1-9-47-24)16-43(32(27)46)22-5-6-22/h7-8,10-13,16,20,22,24,32-33,39,46H,1-6,9,14-15,17-18H2,(H,40,41,44)/t24-,32?/m0/s1
InChIKeyCCVDASDHJSVGDQ-RUBXLXHKSA-N
MW671.69 g/mol
LogP4.63
Rot. Bonds12

About 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide

1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide (PubChem CID 176972738) has the molecular formula C34H37F4N5O5 and a molecular weight of 671.69 g/mol. Its IUPAC name is 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide
PubChem CID176972738
Molecular FormulaC34H37F4N5O5
Molecular Weight671.69 g/mol
Exact Mass671.27
IUPAC Name1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc(OC(F)F)cc2C(=O)N2CC(F)(F)C2)cc(C2CC2)n1)C1=CC(CNC[C@@H]2CCCO2)=CN(C2CC2)C1O
InChIInChI=1S/C34H37F4N5O5/c35-33(36)48-23-7-8-25(26(13-23)31(45)42-17-34(37,38)18-42)21-11-28(20-3-4-20)40-29(12-21)41-30(44)27-10-19(14-39-15-24-2-1-9-47-24)16-43(32(27)46)22-5-6-22/h7-8,10-13,16,20,22,24,32-33,39,46H,1-6,9,14-15,17-18H2,(H,40,41,44)/t24-,32?/m0/s1
InChIKeyCCVDASDHJSVGDQ-RUBXLXHKSA-N
XLogP4.63
TPSA116.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.69
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-fluorophenyl]-2-pyridinyl]-5-[(2-methoxyethylamino)methyl]-2-oxopyridine-3-carboxamide;ethane
CID 176972474
N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-ethoxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide;molecular hydrogen
CID 176972407
1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
CID 176972413
N-[4-[4-cyano-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-1-methyl-2-oxo-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]pyridine-3-carboxamide
CID 176972758
2-[[2-(difluoromethoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013865
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide
CID 176972335
4-[5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56757805
4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 2469781
3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 122269488
2-(2-naphthalen-2-yloxybutanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 46771645
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 30753760

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide (CID 176972738) is 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide is O=C(Nc1cc(-c2ccc(OC(F)F)cc2C(=O)N2CC(F)(F)C2)cc(C2CC2)n1)C1=CC(CNC[C@@H]2CCCO2)=CN(C2CC2)C1O.
What is the InChIKey of 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide?
The InChIKey is CCVDASDHJSVGDQ-RUBXLXHKSA-N. The full InChI is InChI=1S/C34H37F4N5O5/c35-33(36)48-23-7-8-25(26(13-23)31(45)42-17-34(37,38)18-42)21-11-28(20-3-4-20)40-29(12-21)41-30(44)27-10-19(14-39-15-24-2-1-9-47-24)16-43(32(27)46)22-5-6-22/h7-8,10-13,16,20,22,24,32-33,39,46H,1-6,9,14-15,17-18H2,(H,40,41,44)/t24-,32?/m0/s1.
What are the key properties of 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide?
1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide has a molecular weight of 671.69 g/mol, XLogP of 4.63, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-hydroxy-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-2H-pyridine-3-carboxamide is sourced from PubChem (CID 176972738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).