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

C25H24FN5O3 — CID 118644338

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3occ(-c4ccccc4F)c3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C25H24FN5O3/c1-14-11-31(12-18(27)24(14)32)21-8-9-28-10-20(21)30-25(33)19-6-7-22-23(29-19)16(13-34-22)15-4-2-3-5-17(15)26/h2-10,13-14,18,24,32H,11-12,27H2,1H3,(H,30,33)/t14-,18+,24+/m0/s1
InChIKeyRKXVMZZCXFMIRT-NDGOPHNLSA-N
MW461.50 g/mol
LogP3.43
Rot. Bonds4

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

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644338) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID118644338
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3occ(-c4ccccc4F)c3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C25H24FN5O3/c1-14-11-31(12-18(27)24(14)32)21-8-9-28-10-20(21)30-25(33)19-6-7-22-23(29-19)16(13-34-22)15-4-2-3-5-17(15)26/h2-10,13-14,18,24,32H,11-12,27H2,1H3,(H,30,33)/t14-,18+,24+/m0/s1
InChIKeyRKXVMZZCXFMIRT-NDGOPHNLSA-N
XLogP3.43
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide (CID 118644338) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2ccc3occ(-c4ccccc4F)c3n2)C[C@@H](N)[C@@H]1O.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is RKXVMZZCXFMIRT-NDGOPHNLSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-14-11-31(12-18(27)24(14)32)21-8-9-28-10-20(21)30-25(33)19-6-7-22-23(29-19)16(13-34-22)15-4-2-3-5-17(15)26/h2-10,13-14,18,24,32H,11-12,27H2,1H3,(H,30,33)/t14-,18+,24+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2-fluorophenyl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).