1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one

C24H27ClN8O2 — CID 171074866

About 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one

1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 171074866) has the molecular formula C24H27ClN8O2 and a molecular weight of 494.99 g/mol. Its IUPAC name is 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one
• PubChem CID: 171074866
• Molecular Formula: C24H27ClN8O2
• Molecular Weight: 494.99 g/mol
• Exact Mass: 494.19
• IUPAC Name: 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCC(n2nnc(-c3cc(O[C@@H](C)c4ccn(C)n4)c4c(Cl)cnn4c3)c2C)CC1
• InChI: InChI=1S/C24H27ClN8O2/c1-5-22(34)31-10-6-18(7-11-31)33-15(2)23(27-29-33)17-12-21(24-19(25)13-26-32(24)14-17)35-16(3)20-8-9-30(4)28-20/h5,8-9,12-14,16,18H,1,6-7,10-11H2,2-4H3/t16-/m0/s1
• InChIKey: CANBZHMAGUSYLX-INIZCTEOSA-N
• XLogP: 3.78
• TPSA: 95.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.99
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one (CID 171074866) is 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(n2nnc(-c3cc(O[C@@H](C)c4ccn(C)n4)c4c(Cl)cnn4c3)c2C)CC1.

What is the InChIKey of 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one?

The InChIKey is CANBZHMAGUSYLX-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27ClN8O2/c1-5-22(34)31-10-6-18(7-11-31)33-15(2)23(27-29-33)17-12-21(24-19(25)13-26-32(24)14-17)35-16(3)20-8-9-30(4)28-20/h5,8-9,12-14,16,18H,1,6-7,10-11H2,2-4H3/t16-/m0/s1.

What are the key properties of 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one?

1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 494.99 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[3-chloro-4-[(1S)-1-(1-methylpyrazol-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 171074866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).