5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine

C25H25ClFN5 — CID 86292044

IUPAC5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4nc(NCc5cccc(F)c5)ccc4Cl)ccnc3[nH]2)CC1
InChIInChI=1S/C25H25ClFN5/c1-32-11-8-17(9-12-32)22-14-20-19(7-10-28-25(20)30-22)24-21(26)5-6-23(31-24)29-15-16-3-2-4-18(27)13-16/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyNWFSYTHPSDOPRY-UHFFFAOYSA-N
MW449.96 g/mol
LogP5.84
Rot. Bonds5

About 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine

5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine (PubChem CID 86292044) has the molecular formula C25H25ClFN5 and a molecular weight of 449.96 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
PubChem CID86292044
Molecular FormulaC25H25ClFN5
Molecular Weight449.96 g/mol
Exact Mass449.18
IUPAC Name5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4nc(NCc5cccc(F)c5)ccc4Cl)ccnc3[nH]2)CC1
InChIInChI=1S/C25H25ClFN5/c1-32-11-8-17(9-12-32)22-14-20-19(7-10-28-25(20)30-22)24-21(26)5-6-23(31-24)29-15-16-3-2-4-18(27)13-16/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyNWFSYTHPSDOPRY-UHFFFAOYSA-N
XLogP5.84
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine (CID 86292044) is 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine is CN1CCC(c2cc3c(-c4nc(NCc5cccc(F)c5)ccc4Cl)ccnc3[nH]2)CC1.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The InChIKey is NWFSYTHPSDOPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5/c1-32-11-8-17(9-12-32)22-14-20-19(7-10-28-25(20)30-22)24-21(26)5-6-23(31-24)29-15-16-3-2-4-18(27)13-16/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine has a molecular weight of 449.96 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-fluorophenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine is sourced from PubChem (CID 86292044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).