2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile

C24H25N7S — CID 175636580

About 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile

2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile (PubChem CID 175636580) has the molecular formula C24H25N7S and a molecular weight of 443.58 g/mol. Its IUPAC name is 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile.

Molecular Properties

• Compound Name: 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
• PubChem CID: 175636580
• Molecular Formula: C24H25N7S
• Molecular Weight: 443.58 g/mol
• Exact Mass: 443.19
• IUPAC Name: 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
• SMILES: CC1(C)CC[C@H](n2cc(-c3cc(Sc4ccccc4C#N)c4c(N)cnn4c3)cn2)CN1
• InChI: InChI=1S/C24H25N7S/c1-24(2)8-7-19(12-27-24)30-15-18(11-28-30)17-9-22(23-20(26)13-29-31(23)14-17)32-21-6-4-3-5-16(21)10-25/h3-6,9,11,13-15,19,27H,7-8,12,26H2,1-2H3/t19-/m0/s1
• InChIKey: FZXJMYPYRWPTKO-IBGZPJMESA-N
• XLogP: 4.51
• TPSA: 96.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile?

The IUPAC name of 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile (CID 175636580) is 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile.

What is the SMILES notation for 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile?

The canonical SMILES for 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile is CC1(C)CC[C@H](n2cc(-c3cc(Sc4ccccc4C#N)c4c(N)cnn4c3)cn2)CN1.

What is the InChIKey of 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile?

The InChIKey is FZXJMYPYRWPTKO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N7S/c1-24(2)8-7-19(12-27-24)30-15-18(11-28-30)17-9-22(23-20(26)13-29-31(23)14-17)32-21-6-4-3-5-16(21)10-25/h3-6,9,11,13-15,19,27H,7-8,12,26H2,1-2H3/t19-/m0/s1.

What are the key properties of 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile?

2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile has a molecular weight of 443.58 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile is sourced from PubChem (CID 175636580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).