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

C18H14FN5O — CID 76684329

IUPACN-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1
InChIInChI=1S/C18H14FN5O/c1-10-6-16(24-23-10)18(25)21-14-7-12-8-15(22-17(12)20-9-14)11-2-4-13(19)5-3-11/h2-9H,1H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyQJNRMWZFEHLNIN-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.65
Rot. Bonds3

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

N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 76684329) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID76684329
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC NameN-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1
InChIInChI=1S/C18H14FN5O/c1-10-6-16(24-23-10)18(25)21-14-7-12-8-15(22-17(12)20-9-14)11-2-4-13(19)5-3-11/h2-9H,1H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyQJNRMWZFEHLNIN-UHFFFAOYSA-N
XLogP3.65
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 76684329) is N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)n[nH]1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QJNRMWZFEHLNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-10-6-16(24-23-10)18(25)21-14-7-12-8-15(22-17(12)20-9-14)11-2-4-13(19)5-3-11/h2-9H,1H3,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76684329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).