(3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine

C24H27N7 — CID 71253973

About (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine

(3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (PubChem CID 71253973) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

• Compound Name: (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
• PubChem CID: 71253973
• Molecular Formula: C24H27N7
• Molecular Weight: 413.53 g/mol
• Exact Mass: 413.23
• IUPAC Name: (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
• SMILES: CC(C)c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1
• InChI: InChI=1S/C24H27N7/c1-15(2)18-7-8-20(28-24(18)31-10-4-6-17(25)14-31)23-19-11-21(16-5-3-9-26-12-16)27-13-22(19)29-30-23/h3,5,7-9,11-13,15,17H,4,6,10,14,25H2,1-2H3,(H,29,30)/t17-/m0/s1
• InChIKey: VGJWLOJQVWBUSL-KRWDZBQOSA-N
• XLogP: 4.13
• TPSA: 96.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.53
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?

The IUPAC name of (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (CID 71253973) is (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.

What is the SMILES notation for (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?

The canonical SMILES for (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is CC(C)c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1.

What is the InChIKey of (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?

The InChIKey is VGJWLOJQVWBUSL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N7/c1-15(2)18-7-8-20(28-24(18)31-10-4-6-17(25)14-31)23-19-11-21(16-5-3-9-26-12-16)27-13-22(19)29-30-23/h3,5,7-9,11-13,15,17H,4,6,10,14,25H2,1-2H3,(H,29,30)/t17-/m0/s1.

What are the key properties of (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?

(3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 413.53 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 71253973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).