fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate

C16H16FN5O5 — CID 163252834

IUPACfluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate
SMILESCOc1nc(OC)c(-c2cc3cc(NC(=O)OF)ncc3n2C)c(OC)n1
InChIInChI=1S/C16H16FN5O5/c1-22-9(12-13(24-2)20-15(26-4)21-14(12)25-3)5-8-6-11(18-7-10(8)22)19-16(23)27-17/h5-7H,1-4H3,(H,18,19,23)
InChIKeyXICNEEJVDUEMSU-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.49
Rot. Bonds5

About fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate

fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate (PubChem CID 163252834) has the molecular formula C16H16FN5O5 and a molecular weight of 377.33 g/mol. Its IUPAC name is fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate.

Molecular Properties

Compound Namefluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate
PubChem CID163252834
Molecular FormulaC16H16FN5O5
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Namefluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate
SMILESCOc1nc(OC)c(-c2cc3cc(NC(=O)OF)ncc3n2C)c(OC)n1
InChIInChI=1S/C16H16FN5O5/c1-22-9(12-13(24-2)20-15(26-4)21-14(12)25-3)5-8-6-11(18-7-10(8)22)19-16(23)27-17/h5-7H,1-4H3,(H,18,19,23)
InChIKeyXICNEEJVDUEMSU-UHFFFAOYSA-N
XLogP2.49
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide;methanol
CID 163252783
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-[2-(difluoromethyl)-4,6-dimethoxypyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167374698
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
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-(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
5-chloro-2-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252804
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-(5-fluoro-2,4-dimethoxy-6-methyl-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]formamide
CID 163252714
cyclopropane;N-[2-[2-(difluoromethyl)-4,6-dimethoxypyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium
CID 163252430
cis-(1R,2R)-N-[2-(2,4-dimethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-formylcyclopropane-1-carboxamide
CID 167374781

Frequently Asked Questions

What is the IUPAC name of fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate?
The IUPAC name of fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate (CID 163252834) is fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate.
What is the SMILES notation for fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate?
The canonical SMILES for fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate is COc1nc(OC)c(-c2cc3cc(NC(=O)OF)ncc3n2C)c(OC)n1.
What is the InChIKey of fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate?
The InChIKey is XICNEEJVDUEMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O5/c1-22-9(12-13(24-2)20-15(26-4)21-14(12)25-3)5-8-6-11(18-7-10(8)22)19-16(23)27-17/h5-7H,1-4H3,(H,18,19,23).
What are the key properties of fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate?
fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate has a molecular weight of 377.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro N-[1-methyl-2-(2,4,6-trimethoxypyrimidin-5-yl)pyrrolo[2,3-c]pyridin-5-yl]carbamate is sourced from PubChem (CID 163252834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).