N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol

C19H23N5O4 — CID 163252783

IUPACN-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
SMILESCO.COc1ncnc(OC)c1-c1cc2cc(NC(=O)C3CC3)ncc2n1C
InChIInChI=1S/C18H19N5O3.CH4O/c1-23-12(15-17(25-2)20-9-21-18(15)26-3)6-11-7-14(19-8-13(11)23)22-16(24)10-4-5-10;1-2/h6-10H,4-5H2,1-3H3,(H,19,22,24);2H,1H3
InChIKeyBKQOVCKEOYVWJS-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol

N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol (PubChem CID 163252783) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol.

Molecular Properties

Compound NameN-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
PubChem CID163252783
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
SMILESCO.COc1ncnc(OC)c1-c1cc2cc(NC(=O)C3CC3)ncc2n1C
InChIInChI=1S/C18H19N5O3.CH4O/c1-23-12(15-17(25-2)20-9-21-18(15)26-3)6-11-7-14(19-8-13(11)23)22-16(24)10-4-5-10;1-2/h6-10H,4-5H2,1-3H3,(H,19,22,24);2H,1H3
InChIKeyBKQOVCKEOYVWJS-UHFFFAOYSA-N
XLogP2.00
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-N-[2-(4-methoxy-6-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252731
cis-(1S,2S)-N-[2-[2-(difluoromethyl)-4,6-dimethoxypyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167374698
N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide
CID 163252579
cis-(1S,2S)-N-[2-(3,5-dimethoxypyridazin-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167023260
cis-(1R,2R)-N-[2-(2,4-dimethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-formylcyclopropane-1-carboxamide
CID 167374781
fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate
CID 163252834
cis-(1S,2S)-N-[2-(4,6-dimethoxy-2-oxo-1H-pyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252441
N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097791
N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167374689
N-[2-(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 170385168
N-[2-(2-isocyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
CID 167374731
N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 178122855

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol?
The IUPAC name of N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol (CID 163252783) is N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol.
What is the SMILES notation for N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol?
The canonical SMILES for N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol is CO.COc1ncnc(OC)c1-c1cc2cc(NC(=O)C3CC3)ncc2n1C.
What is the InChIKey of N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol?
The InChIKey is BKQOVCKEOYVWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3.CH4O/c1-23-12(15-17(25-2)20-9-21-18(15)26-3)6-11-7-14(19-8-13(11)23)22-16(24)10-4-5-10;1-2/h6-10H,4-5H2,1-3H3,(H,19,22,24);2H,1H3.
What are the key properties of N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol?
N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol has a molecular weight of 385.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol is sourced from PubChem (CID 163252783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).