N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide

C25H23F2N5O2 — CID 118644450

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3oc(-c4c(F)cccc4F)cc3n2)C1
InChIInChI=1S/C25H23F2N5O2/c1-14-9-15(28)13-32(12-14)21-7-8-29-11-20(21)31-25(33)18-5-6-22-19(30-18)10-23(34-22)24-16(26)3-2-4-17(24)27/h2-8,10-11,14-15H,9,12-13,28H2,1H3,(H,31,33)/t14-,15+/m1/s1
InChIKeyGGNWBZXNPGKDTG-CABCVRRESA-N
MW463.49 g/mol
LogP4.59
Rot. Bonds4

About N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644450) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID118644450
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3oc(-c4c(F)cccc4F)cc3n2)C1
InChIInChI=1S/C25H23F2N5O2/c1-14-9-15(28)13-32(12-14)21-7-8-29-11-20(21)31-25(33)18-5-6-22-19(30-18)10-23(34-22)24-16(26)3-2-4-17(24)27/h2-8,10-11,14-15H,9,12-13,28H2,1H3,(H,31,33)/t14-,15+/m1/s1
InChIKeyGGNWBZXNPGKDTG-CABCVRRESA-N
XLogP4.59
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide (CID 118644450) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3oc(-c4c(F)cccc4F)cc3n2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is GGNWBZXNPGKDTG-CABCVRRESA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-14-9-15(28)13-32(12-14)21-7-8-29-11-20(21)31-25(33)18-5-6-22-19(30-18)10-23(34-22)24-16(26)3-2-4-17(24)27/h2-8,10-11,14-15H,9,12-13,28H2,1H3,(H,31,33)/t14-,15+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).