bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide

C58H65FN16O6 — CID 157140314

About bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide

bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 157140314) has the molecular formula C58H65FN16O6 and a molecular weight of 1101.26 g/mol. Its IUPAC name is bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide
• PubChem CID: 157140314
• Molecular Formula: C58H65FN16O6
• Molecular Weight: 1101.26 g/mol
• Exact Mass: 1100.53
• IUPAC Name: bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide
• SMILES: Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21
• InChI: InChI=1S/C20H21FN4O2.2C19H22N6O2/c1-25-18-10-15(23-19(26)17-9-6-14(21)11-22-17)7-8-16(18)20(24-25)27-12-13-4-2-3-5-13;2*1-25-15-9-13(23-18(26)16-14(20)7-4-8-21-16)10-22-17(15)19(24-25)27-11-12-5-2-3-6-12/h6-11,13H,2-5,12H2,1H3,(H,23,26);2*4,7-10,12H,2-3,5-6,11,20H2,1H3,(H,23,26)
• InChIKey: AKCPTZUBUBUOJU-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 284.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.26
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide?

The IUPAC name of bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide (CID 157140314) is bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide.

What is the SMILES notation for bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide?

The canonical SMILES for bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide is Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.

What is the InChIKey of bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide?

The InChIKey is AKCPTZUBUBUOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2.2C19H22N6O2/c1-25-18-10-15(23-19(26)17-9-6-14(21)11-22-17)7-8-16(18)20(24-25)27-12-13-4-2-3-5-13;2*1-25-15-9-13(23-18(26)16-14(20)7-4-8-21-16)10-22-17(15)19(24-25)27-11-12-5-2-3-6-12/h6-11,13H,2-5,12H2,1H3,(H,23,26);2*4,7-10,12H,2-3,5-6,11,20H2,1H3,(H,23,26).

What are the key properties of bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide?

bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 1101.26 g/mol, XLogP of 9.46, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 157140314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).