N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide

C20H19FN4O2 — CID 163252255

IUPACN-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCn1c(-c2cnccc2OC2CC2)cc2cc(NC(=O)C3CC3F)ncc21
InChIInChI=1S/C20H19FN4O2/c1-25-16(14-9-22-5-4-18(14)27-12-2-3-12)6-11-7-19(23-10-17(11)25)24-20(26)13-8-15(13)21/h4-7,9-10,12-13,15H,2-3,8H2,1H3,(H,23,24,26)
InChIKeyNYNRKCYKSGMFHM-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide

N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163252255) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163252255
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCn1c(-c2cnccc2OC2CC2)cc2cc(NC(=O)C3CC3F)ncc21
InChIInChI=1S/C20H19FN4O2/c1-25-16(14-9-22-5-4-18(14)27-12-2-3-12)6-11-7-19(23-10-17(11)25)24-20(26)13-8-15(13)21/h4-7,9-10,12-13,15H,2-3,8H2,1H3,(H,23,24,26)
InChIKeyNYNRKCYKSGMFHM-UHFFFAOYSA-N
XLogP3.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2R)-N-[2-(2-ethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252239
2-fluoro-N-[2-(7-methoxyindolizin-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 170254808
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-(2,3-dihydro-1H-indol-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252607
cis-(1S,2S)-N-[2-(3,5-dimethoxypyridazin-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167023260
2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252352
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
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)-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
N-[2-(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 170385168

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide (CID 163252255) is N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide is Cn1c(-c2cnccc2OC2CC2)cc2cc(NC(=O)C3CC3F)ncc21.
What is the InChIKey of N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is NYNRKCYKSGMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-25-16(14-9-22-5-4-18(14)27-12-2-3-12)6-11-7-19(23-10-17(11)25)24-20(26)13-8-15(13)21/h4-7,9-10,12-13,15H,2-3,8H2,1H3,(H,23,24,26).
What are the key properties of N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide?
N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163252255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).