2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C23H16FN5 — CID 170387902

IUPAC2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1ccc2c(-c3ccc(C#N)c(F)c3)c(-c3ccc4cnn(C)c4c3)ncc21
InChIInChI=1S/C23H16FN5/c1-28-8-7-18-21(28)13-26-23(15-4-6-17-12-27-29(2)20(17)10-15)22(18)14-3-5-16(11-25)19(24)9-14/h3-10,12-13H,1-2H3
InChIKeyDDNXAFDLHCZGIP-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.80
Rot. Bonds2

About 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 170387902) has the molecular formula C23H16FN5 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID170387902
Molecular FormulaC23H16FN5
Molecular Weight381.41 g/mol
Exact Mass381.14
IUPAC Name2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1ccc2c(-c3ccc(C#N)c(F)c3)c(-c3ccc4cnn(C)c4c3)ncc21
InChIInChI=1S/C23H16FN5/c1-28-8-7-18-21(28)13-26-23(15-4-6-17-12-27-29(2)20(17)10-15)22(18)14-3-5-16(11-25)19(24)9-14/h3-10,12-13H,1-2H3
InChIKeyDDNXAFDLHCZGIP-UHFFFAOYSA-N
XLogP4.80
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 170387902) is 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is Cn1ccc2c(-c3ccc(C#N)c(F)c3)c(-c3ccc4cnn(C)c4c3)ncc21.
What is the InChIKey of 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is DDNXAFDLHCZGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5/c1-28-8-7-18-21(28)13-26-23(15-4-6-17-12-27-29(2)20(17)10-15)22(18)14-3-5-16(11-25)19(24)9-14/h3-10,12-13H,1-2H3.
What are the key properties of 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 381.41 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 170387902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).