4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one

C26H26ClN5O3 — CID 168956416

IUPAC4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
SMILESNc1nccc2c1n(-c1ccc(Oc3ccccc3)cc1)c(=O)n2[C@@H]1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C26H26ClN5O3/c27-14-12-23(33)30-16-4-5-19(17-30)31-22-13-15-29-25(28)24(22)32(26(31)34)18-8-10-21(11-9-18)35-20-6-2-1-3-7-20/h1-3,6-11,13,15,19H,4-5,12,14,16-17H2,(H2,28,29)/t19-/m1/s1
InChIKeyZWVDFEVDGSJLOQ-LJQANCHMSA-N
MW491.98 g/mol
LogP4.35
Rot. Bonds6

About 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one

4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 168956416) has the molecular formula C26H26ClN5O3 and a molecular weight of 491.98 g/mol. Its IUPAC name is 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
PubChem CID168956416
Molecular FormulaC26H26ClN5O3
Molecular Weight491.98 g/mol
Exact Mass491.17
IUPAC Name4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
SMILESNc1nccc2c1n(-c1ccc(Oc3ccccc3)cc1)c(=O)n2[C@@H]1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C26H26ClN5O3/c27-14-12-23(33)30-16-4-5-19(17-30)31-22-13-15-29-25(28)24(22)32(26(31)34)18-8-10-21(11-9-18)35-20-6-2-1-3-7-20/h1-3,6-11,13,15,19H,4-5,12,14,16-17H2,(H2,28,29)/t19-/m1/s1
InChIKeyZWVDFEVDGSJLOQ-LJQANCHMSA-N
XLogP4.35
TPSA95.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(3R)-1-[(2S)-2,3-dihydroxypropanoyl]piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 164557915
3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174910571
3-[4-amino-3-[4-[4-(dimethylamino)phenoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174798356
3-[4-amino-3-[4-(4-cyanophenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174911224
2-[(3R)-3-[4-amino-2-oxo-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carbonyl]-3,3,5,5-tetramethylhexanenitrile
CID 157070187
(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
CID 174798347
(3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174910588
4-amino-3-[4-[4-(dimethylamino)phenoxy]phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 126700274
2-[(3R)-3-[4-amino-2-oxo-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carbonyl]-4,4-dimethyl-5-(4-methylpiperazin-1-yl)-5-oxopent-2-enenitrile
CID 140876731
4-amino-3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpiperidin-3-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 126700572
2-[(3R)-3-[4-amino-2-oxo-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carbonyl]-3-[(1R)-1-oxo-2H-thiopyran-4-yl]prop-2-enenitrile
CID 175559202
4-amino-1-(1-methylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 145271415

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one (CID 168956416) is 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one is Nc1nccc2c1n(-c1ccc(Oc3ccccc3)cc1)c(=O)n2[C@@H]1CCCN(C(=O)CCCl)C1.
What is the InChIKey of 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is ZWVDFEVDGSJLOQ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26ClN5O3/c27-14-12-23(33)30-16-4-5-19(17-30)31-22-13-15-29-25(28)24(22)32(26(31)34)18-8-10-21(11-9-18)35-20-6-2-1-3-7-20/h1-3,6-11,13,15,19H,4-5,12,14,16-17H2,(H2,28,29)/t19-/m1/s1.
What are the key properties of 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 491.98 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 168956416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).