(4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide

C34H32F5N5O5 — CID 169240834

IUPAC(4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)c(C(F)(F)F)c4)n2)COC[C@]3(C)C(N)=O)C2CC2)cc2cn(C3(F)CC3)nc12
InChIInChI=1S/C34H32F5N5O5/c1-31(30(40)46)16-49-14-21-22(31)12-26(42-27(21)17-3-6-24(35)23(10-17)34(37,38)39)33(47,20-4-5-20)15-41-29(45)18-9-19-13-44(32(36)7-8-32)43-28(19)25(11-18)48-2/h3,6,9-13,20,47H,4-5,7-8,14-16H2,1-2H3,(H2,40,46)(H,41,45)/t31-,33+/m0/s1
InChIKeyVEYNAJGJYQMDBP-CQTOTRCISA-N
MW685.65 g/mol
LogP4.98
Rot. Bonds9

About (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide

(4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide (PubChem CID 169240834) has the molecular formula C34H32F5N5O5 and a molecular weight of 685.65 g/mol. Its IUPAC name is (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide
PubChem CID169240834
Molecular FormulaC34H32F5N5O5
Molecular Weight685.65 g/mol
Exact Mass685.23
IUPAC Name(4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)c(C(F)(F)F)c4)n2)COC[C@]3(C)C(N)=O)C2CC2)cc2cn(C3(F)CC3)nc12
InChIInChI=1S/C34H32F5N5O5/c1-31(30(40)46)16-49-14-21-22(31)12-26(42-27(21)17-3-6-24(35)23(10-17)34(37,38)39)33(47,20-4-5-20)15-41-29(45)18-9-19-13-44(32(36)7-8-32)43-28(19)25(11-18)48-2/h3,6,9-13,20,47H,4-5,7-8,14-16H2,1-2H3,(H2,40,46)(H,41,45)/t31-,33+/m0/s1
InChIKeyVEYNAJGJYQMDBP-CQTOTRCISA-N
XLogP4.98
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.65
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-[4-(1-carbamoylcyclopropyl)-6-(3-chloro-2,4-difluorophenyl)-5-fluoro-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carboxamide
CID 170380229
N-[(2S)-2-[4-(2-amino-1,1-difluoro-2-oxoethyl)-6-(3-chloro-2,4-difluorophenyl)-5-fluoro-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carboxamide
CID 170380458
(3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluoro-2-methoxyphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406252
(3R)-7-(5-chloro-2-fluoro-3-methylphenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406084
(3R)-7-(1-benzothiophen-6-yl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406095
N-[(2S)-2-[(3R)-3-[amino-[(Z)-2-aminoethenyl]amino]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-7-methoxy-2-methylindazole-5-carboxamide
CID 167024177
(3R)-7-(4-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-5-[(1S)-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-(4-fluorophenyl)-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407559
[2-[(Z)-2-amino-3,3-difluoroprop-1-enyl]-4-[[(2S)-2-[(3R)-3-carbamoyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]carbamoyl]-6-methoxyphenyl]azanium
CID 164911017
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 166680706
(3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911535
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-methoxy-1,3-benzoxazole-6-carboxamide
CID 166688108
(3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170408258

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide?
The IUPAC name of (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide (CID 169240834) is (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide?
The canonical SMILES for (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)c(C(F)(F)F)c4)n2)COC[C@]3(C)C(N)=O)C2CC2)cc2cn(C3(F)CC3)nc12.
What is the InChIKey of (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide?
The InChIKey is VEYNAJGJYQMDBP-CQTOTRCISA-N. The full InChI is InChI=1S/C34H32F5N5O5/c1-31(30(40)46)16-49-14-21-22(31)12-26(42-27(21)17-3-6-24(35)23(10-17)34(37,38)39)33(47,20-4-5-20)15-41-29(45)18-9-19-13-44(32(36)7-8-32)43-28(19)25(11-18)48-2/h3,6,9-13,20,47H,4-5,7-8,14-16H2,1-2H3,(H2,40,46)(H,41,45)/t31-,33+/m0/s1.
What are the key properties of (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide?
(4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide has a molecular weight of 685.65 g/mol, XLogP of 4.98, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[(1S)-1-cyclopropyl-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxyethyl]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-dihydropyrano[3,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 169240834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).