4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

C26H26F3N5O3 — CID 175706603

IUPAC4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1CN(c2nc3c(cc2-c2cc(C(N)=O)nc(-c4c(F)cccc4F)c2F)CC[C@H]3O)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C26H26F3N5O3/c1-11-9-34(10-17(30)24(11)36)26-14(7-12-5-6-19(35)22(12)33-26)13-8-18(25(31)37)32-23(21(13)29)20-15(27)3-2-4-16(20)28/h2-4,7-8,11,17,19,24,35-36H,5-6,9-10,30H2,1H3,(H2,31,37)/t11-,17+,19+,24+/m0/s1
InChIKeyBEPBFLXJPLQPOY-CQUWOFBSSA-N
MW513.52 g/mol
LogP2.45
Rot. Bonds4

About 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 175706603) has the molecular formula C26H26F3N5O3 and a molecular weight of 513.52 g/mol. Its IUPAC name is 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
PubChem CID175706603
Molecular FormulaC26H26F3N5O3
Molecular Weight513.52 g/mol
Exact Mass513.20
IUPAC Name4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESC[C@H]1CN(c2nc3c(cc2-c2cc(C(N)=O)nc(-c4c(F)cccc4F)c2F)CC[C@H]3O)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C26H26F3N5O3/c1-11-9-34(10-17(30)24(11)36)26-14(7-12-5-6-19(35)22(12)33-26)13-8-18(25(31)37)32-23(21(13)29)20-15(27)3-2-4-16(20)28/h2-4,7-8,11,17,19,24,35-36H,5-6,9-10,30H2,1H3,(H2,31,37)/t11-,17+,19+,24+/m0/s1
InChIKeyBEPBFLXJPLQPOY-CQUWOFBSSA-N
XLogP2.45
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.52
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (CID 175706603) is 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is C[C@H]1CN(c2nc3c(cc2-c2cc(C(N)=O)nc(-c4c(F)cccc4F)c2F)CC[C@H]3O)C[C@@H](N)[C@@H]1O.
What is the InChIKey of 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is BEPBFLXJPLQPOY-CQUWOFBSSA-N. The full InChI is InChI=1S/C26H26F3N5O3/c1-11-9-34(10-17(30)24(11)36)26-14(7-12-5-6-19(35)22(12)33-26)13-8-18(25(31)37)32-23(21(13)29)20-15(27)3-2-4-16(20)28/h2-4,7-8,11,17,19,24,35-36H,5-6,9-10,30H2,1H3,(H2,31,37)/t11-,17+,19+,24+/m0/s1.
What are the key properties of 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 513.52 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7R)-2-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 175706603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).