1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

C29H27N9O2 — CID 165134352

IUPAC1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCc1ccnc([C@@H]2C[C@H]2c2ccc3c(ncn3Cc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)n2)n1
InChIInChI=1S/C29H27N9O2/c1-16-7-8-30-26(32-16)21-10-20(21)22-5-6-23-27(34-22)31-15-37(23)13-19-12-36-11-18(17-3-4-17)9-24(28(36)33-19)38-14-25(39)35(2)29(38)40/h5-9,11-12,15,17,20-21H,3-4,10,13-14H2,1-2H3/t20-,21-/m1/s1
InChIKeyPIRVMXJXSDXMBT-NHCUHLMSSA-N
MW533.60 g/mol
LogP3.77
Rot. Bonds6

About 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165134352) has the molecular formula C29H27N9O2 and a molecular weight of 533.60 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID165134352
Molecular FormulaC29H27N9O2
Molecular Weight533.60 g/mol
Exact Mass533.23
IUPAC Name1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCc1ccnc([C@@H]2C[C@H]2c2ccc3c(ncn3Cc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)n2)n1
InChIInChI=1S/C29H27N9O2/c1-16-7-8-30-26(32-16)21-10-20(21)22-5-6-23-27(34-22)31-15-37(23)13-19-12-36-11-18(17-3-4-17)9-24(28(36)33-19)38-14-25(39)35(2)29(38)40/h5-9,11-12,15,17,20-21H,3-4,10,13-14H2,1-2H3/t20-,21-/m1/s1
InChIKeyPIRVMXJXSDXMBT-NHCUHLMSSA-N
XLogP3.77
TPSA114.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.60
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165134352) is 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is Cc1ccnc([C@@H]2C[C@H]2c2ccc3c(ncn3Cc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)n2)n1.
What is the InChIKey of 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is PIRVMXJXSDXMBT-NHCUHLMSSA-N. The full InChI is InChI=1S/C29H27N9O2/c1-16-7-8-30-26(32-16)21-10-20(21)22-5-6-23-27(34-22)31-15-37(23)13-19-12-36-11-18(17-3-4-17)9-24(28(36)33-19)38-14-25(39)35(2)29(38)40/h5-9,11-12,15,17,20-21H,3-4,10,13-14H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 533.60 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165134352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).