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

C24H30N8 — CID 71253698

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

(3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine (PubChem CID 71253698) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is (3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine.

Molecular Properties

• Compound Name: (3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine
• PubChem CID: 71253698
• Molecular Formula: C24H30N8
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.26
• IUPAC Name: (3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine
• SMILES: CCn1cc(-c2cc3c(-c4ccc(C(C)C)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1
• InChI: InChI=1S/C24H30N8/c1-4-32-13-16(11-27-32)21-10-19-22(12-26-21)29-30-23(19)20-8-7-18(15(2)3)24(28-20)31-9-5-6-17(25)14-31/h7-8,10-13,15,17H,4-6,9,14,25H2,1-3H3,(H,29,30)/t17-/m0/s1
• InChIKey: RBCUQLJADFRREM-KRWDZBQOSA-N
• XLogP: 3.95
• TPSA: 101.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine (CID 71253698) is (3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine.

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

The canonical SMILES for (3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine is CCn1cc(-c2cc3c(-c4ccc(C(C)C)c(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1.

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

The InChIKey is RBCUQLJADFRREM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30N8/c1-4-32-13-16(11-27-32)21-10-19-22(12-26-21)29-30-23(19)20-8-7-18(15(2)3)24(28-20)31-9-5-6-17(25)14-31/h7-8,10-13,15,17H,4-6,9,14,25H2,1-3H3,(H,29,30)/t17-/m0/s1.

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

(3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine has a molecular weight of 430.56 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-propan-2-yl-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 71253698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).