3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one

C24H30N6O — CID 127251248

About 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 127251248) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 127251248
• Molecular Formula: C24H30N6O
• Molecular Weight: 418.55 g/mol
• Exact Mass: 418.25
• IUPAC Name: 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: O=C(CCC1CCCC1)N1CCC(c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1
• InChI: InChI=1S/C24H30N6O/c31-22(11-8-17-5-1-2-6-17)30-14-12-18(16-30)21-10-9-20-23(28-29-24(20)27-21)26-15-19-7-3-4-13-25-19/h3-4,7,9-10,13,17-18H,1-2,5-6,8,11-12,14-16H2,(H2,26,27,28,29)
• InChIKey: NTBHGEPITIBFRA-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.55
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one (CID 127251248) is 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1.

What is the InChIKey of 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is NTBHGEPITIBFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c31-22(11-8-17-5-1-2-6-17)30-14-12-18(16-30)21-10-9-20-23(28-29-24(20)27-21)26-15-19-7-3-4-13-25-19/h3-4,7,9-10,13,17-18H,1-2,5-6,8,11-12,14-16H2,(H2,26,27,28,29).

What are the key properties of 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one?

3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 418.55 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 127251248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).