N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C18H19FN4 — CID 71527115

IUPACN-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESFc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1
InChIInChI=1S/C18H19FN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)
InChIKeyKQILIEQOKXOCSD-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.51
Rot. Bonds3

About N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 71527115) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID71527115
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC NameN-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESFc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1
InChIInChI=1S/C18H19FN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)
InChIKeyKQILIEQOKXOCSD-UHFFFAOYSA-N
XLogP4.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 71527115) is N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Fc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is KQILIEQOKXOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23).
What are the key properties of N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 310.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 71527115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).