7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide

C21H23N7O2 — CID 118712520

IUPAC7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide
SMILESCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)cc(C(N)=O)nc21
InChIInChI=1S/C21H23N7O2/c1-26-20-18(28(21(26)30)11-14-6-3-2-5-13(14)10-22)17(9-16(25-20)19(24)29)27-8-4-7-15(23)12-27/h2-3,5-6,9,15H,4,7-8,11-12,23H2,1H3,(H2,24,29)/t15-/m1/s1
InChIKeyBQOJIRWQPFSUPJ-OAHLLOKOSA-N
MW405.46 g/mol
LogP0.68
Rot. Bonds4

About 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide

7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 118712520) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID118712520
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide
SMILESCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)cc(C(N)=O)nc21
InChIInChI=1S/C21H23N7O2/c1-26-20-18(28(21(26)30)11-14-6-3-2-5-13(14)10-22)17(9-16(25-20)19(24)29)27-8-4-7-15(23)12-27/h2-3,5-6,9,15H,4,7-8,11-12,23H2,1H3,(H2,24,29)/t15-/m1/s1
InChIKeyBQOJIRWQPFSUPJ-OAHLLOKOSA-N
XLogP0.68
TPSA135.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(3S)-3-aminopiperidin-1-yl]-3-(isoquinolin-1-ylmethyl)-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 23633277
2-[[6-[(3R)-3-amino-3-ethylpiperidin-1-yl]-1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-fluorobenzonitrile
CID 56658248
6-[(3S)-3-aminopiperidin-1-yl]-3-(isoquinolin-1-ylmethyl)-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57391804
6-[[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-3-carboxamide
CID 118341756
2-[[6-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-fluorobenzonitrile;hydrochloride
CID 56661747
2-[[6-[(3R)-3-amino-3-methylpiperidin-1-yl]-1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-fluorobenzonitrile
CID 44123747
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57391803
6-[(3S)-3-aminopiperidin-1-yl]-3-[(3-cyano-2-pyridinyl)methyl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57391805
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57395273
1-(6-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67135774
2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxo-5-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 68305755
4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 142296514

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide (CID 118712520) is 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide is Cn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)cc(C(N)=O)nc21.
What is the InChIKey of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is BQOJIRWQPFSUPJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-26-20-18(28(21(26)30)11-14-6-3-2-5-13(14)10-22)17(9-16(25-20)19(24)29)27-8-4-7-15(23)12-27/h2-3,5-6,9,15H,4,7-8,11-12,23H2,1H3,(H2,24,29)/t15-/m1/s1.
What are the key properties of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide?
7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 118712520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).