N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C27H29ClFN9O4 — CID 171656356

About N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171656356) has the molecular formula C27H29ClFN9O4 and a molecular weight of 598.04 g/mol. Its IUPAC name is N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 171656356
• Molecular Formula: C27H29ClFN9O4
• Molecular Weight: 598.04 g/mol
• Exact Mass: 597.20
• IUPAC Name: N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CCn1nnc(-c2cc(NC(=O)c3cnn4ccc(-c5cn(C[C@H](O)COCCOC)nc5C)cc34)c(Cl)cc2F)n1
• InChI: InChI=1S/C27H29ClFN9O4/c1-4-38-34-26(32-35-38)19-10-24(22(28)11-23(19)29)31-27(40)20-12-30-37-6-5-17(9-25(20)37)21-14-36(33-16(21)2)13-18(39)15-42-8-7-41-3/h5-6,9-12,14,18,39H,4,7-8,13,15H2,1-3H3,(H,31,40)/t18-/m0/s1
• InChIKey: WZLWACPNPIWAOC-SFHVURJKSA-N
• XLogP: 3.25
• TPSA: 146.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.04
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171656356) is N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCn1nnc(-c2cc(NC(=O)c3cnn4ccc(-c5cn(C[C@H](O)COCCOC)nc5C)cc34)c(Cl)cc2F)n1.

What is the InChIKey of N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WZLWACPNPIWAOC-SFHVURJKSA-N. The full InChI is InChI=1S/C27H29ClFN9O4/c1-4-38-34-26(32-35-38)19-10-24(22(28)11-23(19)29)31-27(40)20-12-30-37-6-5-17(9-25(20)37)21-14-36(33-16(21)2)13-18(39)15-42-8-7-41-3/h5-6,9-12,14,18,39H,4,7-8,13,15H2,1-3H3,(H,31,40)/t18-/m0/s1.

What are the key properties of N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 598.04 g/mol, XLogP of 3.25, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171656356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).