N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide

C26H27FN6O3 — CID 171749503

IUPACN-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide
SMILESCOc1cc(F)ccc1C(=O)NCc1ccc(-n2c(=O)n([C@@H]3CCCNC3)c3ccnc(N)c32)cc1
InChIInChI=1S/C26H27FN6O3/c1-36-22-13-17(27)6-9-20(22)25(34)31-14-16-4-7-18(8-5-16)33-23-21(10-12-30-24(23)28)32(26(33)35)19-3-2-11-29-15-19/h4-10,12-13,19,29H,2-3,11,14-15H2,1H3,(H2,28,30)(H,31,34)/t19-/m1/s1
InChIKeyODFXVSVAUYWYJM-LJQANCHMSA-N
MW490.54 g/mol
LogP2.77
Rot. Bonds6

About N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide

N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide (PubChem CID 171749503) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide
PubChem CID171749503
Molecular FormulaC26H27FN6O3
Molecular Weight490.54 g/mol
Exact Mass490.21
IUPAC NameN-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide
SMILESCOc1cc(F)ccc1C(=O)NCc1ccc(-n2c(=O)n([C@@H]3CCCNC3)c3ccnc(N)c32)cc1
InChIInChI=1S/C26H27FN6O3/c1-36-22-13-17(27)6-9-20(22)25(34)31-14-16-4-7-18(8-5-16)33-23-21(10-12-30-24(23)28)32(26(33)35)19-3-2-11-29-15-19/h4-10,12-13,19,29H,2-3,11,14-15H2,1H3,(H2,28,30)(H,31,34)/t19-/m1/s1
InChIKeyODFXVSVAUYWYJM-LJQANCHMSA-N
XLogP2.77
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(6-amino-9-cyclopentyl-8-oxopurin-7-yl)phenyl]methyl]-2-methoxybenzamide
CID 163925385
N-[[4-[6-amino-9-[4-[methoxy(oxido)amino]cyclohexyl]-8-oxopurin-7-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 163988985
N-[[4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxy-4-methylbenzamide
CID 118579328
(3R)-3-[4-amino-3-[4-[[(4-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
CID 118579035
N-[[4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2,5-difluorobenzamide
CID 118579117
N-[[3-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 118579141
N-[[4-[4-(dimethylaminomethylideneamino)-2-oxo-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 163288184
N-[[4-[4-amino-7-(4-hydroxycyclohexyl)pyrrolo[3,2-d]pyrimidin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 167439428
N-[[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 164851109
N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166519054
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
N-[[4-[8-amino-3-[1-(trifluoromethyl)cyclopropyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 168817889

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide?
The IUPAC name of N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide (CID 171749503) is N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide is COc1cc(F)ccc1C(=O)NCc1ccc(-n2c(=O)n([C@@H]3CCCNC3)c3ccnc(N)c32)cc1.
What is the InChIKey of N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide?
The InChIKey is ODFXVSVAUYWYJM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27FN6O3/c1-36-22-13-17(27)6-9-20(22)25(34)31-14-16-4-7-18(8-5-16)33-23-21(10-12-30-24(23)28)32(26(33)35)19-3-2-11-29-15-19/h4-10,12-13,19,29H,2-3,11,14-15H2,1H3,(H2,28,30)(H,31,34)/t19-/m1/s1.
What are the key properties of N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide?
N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide has a molecular weight of 490.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-amino-2-oxo-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]methyl]-4-fluoro-2-methoxybenzamide is sourced from PubChem (CID 171749503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).