CID 89009696

C24H22BN7O2 — CID 89009696

IUPAC—
SMILES[B]c1ccc2c(c1)CCN2C(=O)c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1
InChIInChI=1S/C24H22BN7O2/c25-16-3-4-19-15(12-16)5-11-31(19)23(33)18-13-21(28-14-27-18)30-9-6-17(7-10-30)32-20-2-1-8-26-22(20)29-24(32)34/h1-4,8,12-14,17H,5-7,9-11H2,(H,26,29,34)
InChIKeyVDNJWLNNDPZSLX-UHFFFAOYSA-N
MW451.30 g/mol
LogP1.35
Rot. Bonds3

About CID 89009696

CID 89009696 (PubChem CID 89009696) has the molecular formula C24H22BN7O2 and a molecular weight of 451.30 g/mol.

Molecular Properties

Compound NameCID 89009696
PubChem CID89009696
Molecular FormulaC24H22BN7O2
Molecular Weight451.30 g/mol
Exact Mass451.19
IUPAC Name—
SMILES[B]c1ccc2c(c1)CCN2C(=O)c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1
InChIInChI=1S/C24H22BN7O2/c25-16-3-4-19-15(12-16)5-11-31(19)23(33)18-13-21(28-14-27-18)30-9-6-17(7-10-30)32-20-2-1-8-26-22(20)29-24(32)34/h1-4,8,12-14,17H,5-7,9-11H2,(H,26,29,34)
InChIKeyVDNJWLNNDPZSLX-UHFFFAOYSA-N
XLogP1.35
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 89009696 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386431
1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386505
1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 143808051
2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 58386658
4-[(1Z)-buta-1,3-dienyl]-3-[1-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-methyl-1H-imidazol-2-one
CID 143808103
1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25266218
1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25271439
methyl [1-methyl-3-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidine-4-carbonyl]indol-5-yl] carbonate
CID 68869620
1-[1-[6-[5-[(1Z)-buta-1,3-dienyl]-1-methylpyrazole-4-carbonyl]pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 143791445
1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386482
[2-[ethyl(methyl)amino]-3-methyl-5-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidine-4-carbonyl]phenyl] formate
CID 143791216
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216

Frequently Asked Questions

What is the IUPAC name of CID 89009696?
The IUPAC name of CID 89009696 (CID 89009696) is not available.
What is the SMILES notation for CID 89009696?
The canonical SMILES for CID 89009696 is [B]c1ccc2c(c1)CCN2C(=O)c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1.
What is the InChIKey of CID 89009696?
The InChIKey is VDNJWLNNDPZSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BN7O2/c25-16-3-4-19-15(12-16)5-11-31(19)23(33)18-13-21(28-14-27-18)30-9-6-17(7-10-30)32-20-2-1-8-26-22(20)29-24(32)34/h1-4,8,12-14,17H,5-7,9-11H2,(H,26,29,34).
What are the key properties of CID 89009696?
CID 89009696 has a molecular weight of 451.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89009696 is sourced from PubChem (CID 89009696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).