4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine

C23H24FN7 — CID 135329336

IUPAC4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
SMILESCc1cc(F)cc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C23H24FN7/c1-13-9-14(11-15(24)10-13)17-12-28-21(26)19(20(17)31-7-4-16(25)5-8-31)23-29-18-3-2-6-27-22(18)30-23/h2-3,6,9-12,16H,4-5,7-8,25H2,1H3,(H2,26,28)(H,27,29,30)
InChIKeyFFPJVOWLBCKWDT-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.64
Rot. Bonds3

About 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine

4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (PubChem CID 135329336) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
PubChem CID135329336
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC Name4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
SMILESCc1cc(F)cc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C23H24FN7/c1-13-9-14(11-15(24)10-13)17-12-28-21(26)19(20(17)31-7-4-16(25)5-8-31)23-29-18-3-2-6-27-22(18)30-23/h2-3,6,9-12,16H,4-5,7-8,25H2,1H3,(H2,26,28)(H,27,29,30)
InChIKeyFFPJVOWLBCKWDT-UHFFFAOYSA-N
XLogP3.64
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (CID 135329336) is 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine is Cc1cc(F)cc(-c2cnc(N)c(-c3nc4ncccc4[nH]3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The InChIKey is FFPJVOWLBCKWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-13-9-14(11-15(24)10-13)17-12-28-21(26)19(20(17)31-7-4-16(25)5-8-31)23-29-18-3-2-6-27-22(18)30-23/h2-3,6,9-12,16H,4-5,7-8,25H2,1H3,(H2,26,28)(H,27,29,30).
What are the key properties of 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine?
4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine has a molecular weight of 417.49 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine is sourced from PubChem (CID 135329336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).