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

C25H23F2N5O3 — CID 118644284

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3occ(-c4c(F)cccc4F)c3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C25H23F2N5O3/c1-13-10-32(11-17(28)24(13)33)20-7-8-29-9-19(20)31-25(34)18-5-6-21-23(30-18)14(12-35-21)22-15(26)3-2-4-16(22)27/h2-9,12-13,17,24,33H,10-11,28H2,1H3,(H,31,34)/t13-,17+,24+/m0/s1
InChIKeyGOGGUTZMAAPSIJ-MYNNUHBYSA-N
MW479.49 g/mol
LogP3.56
Rot. Bonds4

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

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644284) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)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-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID118644284
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3occ(-c4c(F)cccc4F)c3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C25H23F2N5O3/c1-13-10-32(11-17(28)24(13)33)20-7-8-29-9-19(20)31-25(34)18-5-6-21-23(30-18)14(12-35-21)22-15(26)3-2-4-16(22)27/h2-9,12-13,17,24,33H,10-11,28H2,1H3,(H,31,34)/t13-,17+,24+/m0/s1
InChIKeyGOGGUTZMAAPSIJ-MYNNUHBYSA-N
XLogP3.56
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280148
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280154
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280158
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280172
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(6-methyl-2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280185
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(6-methoxy-2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280186
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 15958861
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 22893800
N-(2-hydroxyethyl)-4-methoxy-3-(2-oxo-2-(5-(pyridin-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)acetyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 44555605
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(furo[3,2-b]pyridin-6-ylmethyl)piperazine-2-carboxamide
CID 44342157
US11339157, Example 7
CID 142566502
US11339157, Example 8
CID 142566530

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-(2,6-difluorophenyl)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-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide (CID 118644284) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)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-(2,6-difluorophenyl)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-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2ccc3occ(-c4c(F)cccc4F)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-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is GOGGUTZMAAPSIJ-MYNNUHBYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-13-10-32(11-17(28)24(13)33)20-7-8-29-9-19(20)31-25(34)18-5-6-21-23(30-18)14(12-35-21)22-15(26)3-2-4-16(22)27/h2-9,12-13,17,24,33H,10-11,28H2,1H3,(H,31,34)/t13-,17+,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-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 3.56, 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-(2,6-difluorophenyl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).