N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide

C26H26FN5O5 — CID 167374689

IUPACN-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1ccc(COc2nc(OC)c(-c3cc4cc(NC(=O)C5CC5F)ncc4n3C)c(OC)n2)cc1
InChIInChI=1S/C26H26FN5O5/c1-32-19(9-15-10-21(28-12-20(15)32)29-23(33)17-11-18(17)27)22-24(35-3)30-26(31-25(22)36-4)37-13-14-5-7-16(34-2)8-6-14/h5-10,12,17-18H,11,13H2,1-4H3,(H,28,29,33)
InChIKeyOJOZTBAYDZWXOU-UHFFFAOYSA-N
MW507.52 g/mol
LogP3.93
Rot. Bonds9

About N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide

N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 167374689) has the molecular formula C26H26FN5O5 and a molecular weight of 507.52 g/mol. Its IUPAC name is N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID167374689
Molecular FormulaC26H26FN5O5
Molecular Weight507.52 g/mol
Exact Mass507.19
IUPAC NameN-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1ccc(COc2nc(OC)c(-c3cc4cc(NC(=O)C5CC5F)ncc4n3C)c(OC)n2)cc1
InChIInChI=1S/C26H26FN5O5/c1-32-19(9-15-10-21(28-12-20(15)32)29-23(33)17-11-18(17)27)22-24(35-3)30-26(31-25(22)36-4)37-13-14-5-7-16(34-2)8-6-14/h5-10,12,17-18H,11,13H2,1-4H3,(H,28,29,33)
InChIKeyOJOZTBAYDZWXOU-UHFFFAOYSA-N
XLogP3.93
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

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
cis-(1S,2S)-N-[2-(3,5-dimethoxypyridazin-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167023260
N-[2-(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 170385168
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
2-fluoro-N-[2-(4-methoxy-6-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252731
2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252352
cis-(1R,2R)-N-[2-(2-ethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252239
fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate
CID 163252834
N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
CID 163252783
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxy-3-pyridinyl)-1-(trideuteriomethyl)pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 167374690
cis-(1S,2S)-2-fluoro-N-[2-(6-methoxy-1H-isoindol-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 170233163
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252292

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of 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) is N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide is COc1ccc(COc2nc(OC)c(-c3cc4cc(NC(=O)C5CC5F)ncc4n3C)c(OC)n2)cc1.
What is the InChIKey of N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is OJOZTBAYDZWXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O5/c1-32-19(9-15-10-21(28-12-20(15)32)29-23(33)17-11-18(17)27)22-24(35-3)30-26(31-25(22)36-4)37-13-14-5-7-16(34-2)8-6-14/h5-10,12,17-18H,11,13H2,1-4H3,(H,28,29,33).
What are the key properties of N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?
N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 507.52 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethoxy-2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167374689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).