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

C26H25ClFN9O3 — CID 178043548

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

N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 178043548) has the molecular formula C26H25ClFN9O3 and a molecular weight of 566.00 g/mol. Its IUPAC name is N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 178043548
• Molecular Formula: C26H25ClFN9O3
• Molecular Weight: 566.00 g/mol
• Exact Mass: 565.18
• IUPAC Name: N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)Nc4cc(-c5nnn(C6CC6)n5)c(F)cc4Cl)c3c2)c(C)n1
• InChI: InChI=1S/C26H25ClFN9O3/c1-14-20(12-35(32-14)11-17(38)13-40-2)15-5-6-36-24(7-15)19(10-29-36)26(39)30-23-8-18(22(28)9-21(23)27)25-31-34-37(33-25)16-3-4-16/h5-10,12,16-17,38H,3-4,11,13H2,1-2H3,(H,30,39)/t17-/m0/s1
• InChIKey: GGUNNAKXTZUDTO-KRWDZBQOSA-N
• XLogP: 3.55
• TPSA: 137.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.00
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 178043548) is N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is COC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)Nc4cc(-c5nnn(C6CC6)n5)c(F)cc4Cl)c3c2)c(C)n1.

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

The InChIKey is GGUNNAKXTZUDTO-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H25ClFN9O3/c1-14-20(12-35(32-14)11-17(38)13-40-2)15-5-6-36-24(7-15)19(10-29-36)26(39)30-23-8-18(22(28)9-21(23)27)25-31-34-37(33-25)16-3-4-16/h5-10,12,16-17,38H,3-4,11,13H2,1-2H3,(H,30,39)/t17-/m0/s1.

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

N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 566.00 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 178043548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).