4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C20H19FN4O2 — CID 90421006

IUPAC4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOc1ccc(F)cc1-c1c(C(N)=O)cnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C20H19FN4O2/c1-27-17-3-2-12(21)8-13(17)18-14-9-16(11-4-6-23-7-5-11)25-20(14)24-10-15(18)19(22)26/h2-4,8-10,23H,5-7H2,1H3,(H2,22,26)(H,24,25)
InChIKeyHNLPJWPRSLPSHW-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.85
Rot. Bonds4

About 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 90421006) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID90421006
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOc1ccc(F)cc1-c1c(C(N)=O)cnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C20H19FN4O2/c1-27-17-3-2-12(21)8-13(17)18-14-9-16(11-4-6-23-7-5-11)25-20(14)24-10-15(18)19(22)26/h2-4,8-10,23H,5-7H2,1H3,(H2,22,26)(H,24,25)
InChIKeyHNLPJWPRSLPSHW-UHFFFAOYSA-N
XLogP2.85
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 90421006) is 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is COc1ccc(F)cc1-c1c(C(N)=O)cnc2[nH]c(C3=CCNCC3)cc12.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is HNLPJWPRSLPSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-17-3-2-12(21)8-13(17)18-14-9-16(11-4-6-23-7-5-11)25-20(14)24-10-15(18)19(22)26/h2-4,8-10,23H,5-7H2,1H3,(H2,22,26)(H,24,25).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 90421006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).