2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide

C18H17FN4O2 — CID 163250824

IUPAC2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1nccc(C)c1-c1c[nH]c2nc(NC(=O)C3CC3F)ccc12
InChIInChI=1S/C18H17FN4O2/c1-9-5-6-20-18(25-2)15(9)12-8-21-16-10(12)3-4-14(22-16)23-17(24)11-7-13(11)19/h3-6,8,11,13H,7H2,1-2H3,(H2,21,22,23,24)
InChIKeySBFHVGVZPSDYEA-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.24
Rot. Bonds4

About 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide

2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 163250824) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
PubChem CID163250824
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1nccc(C)c1-c1c[nH]c2nc(NC(=O)C3CC3F)ccc12
InChIInChI=1S/C18H17FN4O2/c1-9-5-6-20-18(25-2)15(9)12-8-21-16-10(12)3-4-14(22-16)23-17(24)11-7-13(11)19/h3-6,8,11,13H,7H2,1-2H3,(H2,21,22,23,24)
InChIKeySBFHVGVZPSDYEA-UHFFFAOYSA-N
XLogP3.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide (CID 163250824) is 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide is COc1nccc(C)c1-c1c[nH]c2nc(NC(=O)C3CC3F)ccc12.
What is the InChIKey of 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is SBFHVGVZPSDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-9-5-6-20-18(25-2)15(9)12-8-21-16-10(12)3-4-14(22-16)23-17(24)11-7-13(11)19/h3-6,8,11,13H,7H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163250824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).