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

C21H14FN5O — CID 76684600

IUPACN-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1n[nH]c2ccccc12
InChIInChI=1S/C21H14FN5O/c22-14-7-5-12(6-8-14)18-10-13-9-15(11-23-20(13)25-18)24-21(28)19-16-3-1-2-4-17(16)26-27-19/h1-11H,(H,23,25)(H,24,28)(H,26,27)
InChIKeyCQBNIRFCGMICGX-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.50
Rot. Bonds3

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

N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide (PubChem CID 76684600) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide
PubChem CID76684600
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC NameN-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1n[nH]c2ccccc12
InChIInChI=1S/C21H14FN5O/c22-14-7-5-12(6-8-14)18-10-13-9-15(11-23-20(13)25-18)24-21(28)19-16-3-1-2-4-17(16)26-27-19/h1-11H,(H,23,25)(H,24,28)(H,26,27)
InChIKeyCQBNIRFCGMICGX-UHFFFAOYSA-N
XLogP4.50
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.50
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]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide (CID 76684600) is N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide is O=C(Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide?
The InChIKey is CQBNIRFCGMICGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c22-14-7-5-12(6-8-14)18-10-13-9-15(11-23-20(13)25-18)24-21(28)19-16-3-1-2-4-17(16)26-27-19/h1-11H,(H,23,25)(H,24,28)(H,26,27).
What are the key properties of N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide?
N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-indazole-3-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 4.50, 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]-1H-indazole-3-carboxamide is sourced from PubChem (CID 76684600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).