1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one

C44H46Cl2N10O4 — CID 157334127

About 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one

1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one (PubChem CID 157334127) has the molecular formula C44H46Cl2N10O4 and a molecular weight of 849.82 g/mol. Its IUPAC name is 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one
• PubChem CID: 157334127
• Molecular Formula: C44H46Cl2N10O4
• Molecular Weight: 849.82 g/mol
• Exact Mass: 848.31
• IUPAC Name: 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one
• SMILES: CC(=O)CCCn1c(CN2C(=O)C(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.CC(O)CCCn1c(CN2C(=O)C(C3CC3)c3ccncc32)nc2nc(Cl)ccc21
• InChI: InChI=1S/C22H24ClN5O2.C22H22ClN5O2/c2*1-13(29)3-2-10-27-16-6-7-18(23)25-21(16)26-19(27)12-28-17-11-24-9-8-15(17)20(22(28)30)14-4-5-14/h6-9,11,13-14,20,29H,2-5,10,12H2,1H3;6-9,11,14,20H,2-5,10,12H2,1H3
• InChIKey: BFQCFGBWUDZPQE-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 165.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	849.82
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one?

The IUPAC name of 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one (CID 157334127) is 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one.

What is the SMILES notation for 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one?

The canonical SMILES for 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one is CC(=O)CCCn1c(CN2C(=O)C(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.CC(O)CCCn1c(CN2C(=O)C(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.

What is the InChIKey of 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one?

The InChIKey is BFQCFGBWUDZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2.C22H22ClN5O2/c2*1-13(29)3-2-10-27-16-6-7-18(23)25-21(16)26-19(27)12-28-17-11-24-9-8-15(17)20(22(28)30)14-4-5-14/h6-9,11,13-14,20,29H,2-5,10,12H2,1H3;6-9,11,14,20H,2-5,10,12H2,1H3.

What are the key properties of 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one?

1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one has a molecular weight of 849.82 g/mol, XLogP of 7.57, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one;1-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-3H-pyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 157334127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).