4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile

C25H21FN6 — CID 142474848

IUPAC4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile
SMILESCn1ncc2cc(-c3ncc4c(ccn4CCCN)c3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C25H21FN6/c1-31-22-6-5-17(11-19(22)14-30-31)25-24(16-3-4-18(13-28)21(26)12-16)20-7-10-32(9-2-8-27)23(20)15-29-25/h3-7,10-12,14-15H,2,8-9,27H2,1H3
InChIKeyQCYGCFSOFFREKF-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.62
Rot. Bonds5

About 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile

4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile (PubChem CID 142474848) has the molecular formula C25H21FN6 and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile
PubChem CID142474848
Molecular FormulaC25H21FN6
Molecular Weight424.48 g/mol
Exact Mass424.18
IUPAC Name4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile
SMILESCn1ncc2cc(-c3ncc4c(ccn4CCCN)c3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C25H21FN6/c1-31-22-6-5-17(11-19(22)14-30-31)25-24(16-3-4-18(13-28)21(26)12-16)20-7-10-32(9-2-8-27)23(20)15-29-25/h3-7,10-12,14-15H,2,8-9,27H2,1H3
InChIKeyQCYGCFSOFFREKF-UHFFFAOYSA-N
XLogP4.62
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile (CID 142474848) is 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile is Cn1ncc2cc(-c3ncc4c(ccn4CCCN)c3-c3ccc(C#N)c(F)c3)ccc21.
What is the InChIKey of 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile?
The InChIKey is QCYGCFSOFFREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6/c1-31-22-6-5-17(11-19(22)14-30-31)25-24(16-3-4-18(13-28)21(26)12-16)20-7-10-32(9-2-8-27)23(20)15-29-25/h3-7,10-12,14-15H,2,8-9,27H2,1H3.
What are the key properties of 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile?
4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile has a molecular weight of 424.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminopropyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 142474848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).