N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide

C30H28FN9O — CID 137257343

About N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide

N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 137257343) has the molecular formula C30H28FN9O and a molecular weight of 549.61 g/mol. Its IUPAC name is N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide
• PubChem CID: 137257343
• Molecular Formula: C30H28FN9O
• Molecular Weight: 549.61 g/mol
• Exact Mass: 549.24
• IUPAC Name: N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide
• SMILES: CN1CCC(C(=O)NC2=CN=CC(c3cnc4n[nH]c(-c5nc6c(-c7cccc(F)c7)cncc6[nH]5)c4c3)C2)CC1
• InChI: InChI=1S/C30H28FN9O/c1-40-7-5-17(6-8-40)30(41)35-22-10-19(12-32-14-22)20-11-23-27(38-39-28(23)34-13-20)29-36-25-16-33-15-24(26(25)37-29)18-3-2-4-21(31)9-18/h2-4,9,11-17,19H,5-8,10H2,1H3,(H,35,41)(H,36,37)(H,34,38,39)
• InChIKey: QLAGKOWZJTZTLU-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 127.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.61
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide?

The IUPAC name of N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide (CID 137257343) is N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC2=CN=CC(c3cnc4n[nH]c(-c5nc6c(-c7cccc(F)c7)cncc6[nH]5)c4c3)C2)CC1.

What is the InChIKey of N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide?

The InChIKey is QLAGKOWZJTZTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN9O/c1-40-7-5-17(6-8-40)30(41)35-22-10-19(12-32-14-22)20-11-23-27(38-39-28(23)34-13-20)29-36-25-16-33-15-24(26(25)37-29)18-3-2-4-21(31)9-18/h2-4,9,11-17,19H,5-8,10H2,1H3,(H,35,41)(H,36,37)(H,34,38,39).

What are the key properties of N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide?

N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 549.61 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 137257343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).