2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine

C18H16FN5 — CID 76683822

IUPAC2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCc1cc(CNc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1
InChIInChI=1S/C18H16FN5/c1-11-6-16(24-23-11)10-20-15-7-13-8-17(22-18(13)21-9-15)12-2-4-14(19)5-3-12/h2-9,20H,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyDESPNROGKRAZCO-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine

2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 76683822) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID76683822
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCc1cc(CNc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1
InChIInChI=1S/C18H16FN5/c1-11-6-16(24-23-11)10-20-15-7-13-8-17(22-18(13)21-9-15)12-2-4-14(19)5-3-12/h2-9,20H,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyDESPNROGKRAZCO-UHFFFAOYSA-N
XLogP4.01
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 76683822) is 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine is Cc1cc(CNc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is DESPNROGKRAZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c1-11-6-16(24-23-11)10-20-15-7-13-8-17(22-18(13)21-9-15)12-2-4-14(19)5-3-12/h2-9,20H,10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine?
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 321.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 76683822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).