5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine

C15H15ClN4O2 — CID 163252804

IUPAC5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine
SMILESCOc1nc(C)nc(OC)c1-c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C15H15ClN4O2/c1-8-18-14(21-3)13(15(19-8)22-4)10-5-9-6-12(16)17-7-11(9)20(10)2/h5-7H,1-4H3
InChIKeyCEYLBVWJHMPWNW-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.01
Rot. Bonds3

About 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine

5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 163252804) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine
PubChem CID163252804
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine
SMILESCOc1nc(C)nc(OC)c1-c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C15H15ClN4O2/c1-8-18-14(21-3)13(15(19-8)22-4)10-5-9-6-12(16)17-7-11(9)20(10)2/h5-7H,1-4H3
InChIKeyCEYLBVWJHMPWNW-UHFFFAOYSA-N
XLogP3.01
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252771
5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252489
fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate
CID 163252834
2-(2,4-dimethoxy-3-pyridinyl)-1,5-dimethylpyrrolo[2,3-c]pyridine
CID 170241935
N-[2-(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 170385168
2-(4-methoxypyrimidin-5-yl)-1,5-dimethylpyrrolo[2,3-c]pyridine
CID 163252464
(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)boronic acid
CID 163252760
N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
CID 163252783
CID 163252822
CID 163252822
cyclopropane;N-[2-[2-(difluoromethyl)-4,6-dimethoxypyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium
CID 163252430
N-[2-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide
CID 163252714
2-fluoro-N-[2-(4-methoxy-6-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine (CID 163252804) is 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine is COc1nc(C)nc(OC)c1-c1cc2cc(Cl)ncc2n1C.
What is the InChIKey of 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is CEYLBVWJHMPWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-8-18-14(21-3)13(15(19-8)22-4)10-5-9-6-12(16)17-7-11(9)20(10)2/h5-7H,1-4H3.
What are the key properties of 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine?
5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 318.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 163252804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).