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

C27H28ClN9O3 — CID 171656083

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

N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171656083) has the molecular formula C27H28ClN9O3 and a molecular weight of 562.03 g/mol. Its IUPAC name is N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 171656083
• Molecular Formula: C27H28ClN9O3
• Molecular Weight: 562.03 g/mol
• Exact Mass: 561.20
• IUPAC Name: N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COC[C@@H](O)Cn1ncc(-c2ccn3ncc(C(=O)Nc4cc(-c5nnn(C6CC6)n5)c(C)cc4Cl)c3c2)c1C
• InChI: InChI=1S/C27H28ClN9O3/c1-15-8-23(28)24(10-20(15)26-32-34-37(33-26)18-4-5-18)31-27(39)22-12-29-35-7-6-17(9-25(22)35)21-11-30-36(16(21)2)13-19(38)14-40-3/h6-12,18-19,38H,4-5,13-14H2,1-3H3,(H,31,39)/t19-/m0/s1
• InChIKey: RALQFJLHROPZND-IBGZPJMESA-N
• XLogP: 3.72
• 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	562.03
LogP ≤ 5	3.72
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-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171656083) is N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-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-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is COC[C@@H](O)Cn1ncc(-c2ccn3ncc(C(=O)Nc4cc(-c5nnn(C6CC6)n5)c(C)cc4Cl)c3c2)c1C.

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

The InChIKey is RALQFJLHROPZND-IBGZPJMESA-N. The full InChI is InChI=1S/C27H28ClN9O3/c1-15-8-23(28)24(10-20(15)26-32-34-37(33-26)18-4-5-18)31-27(39)22-12-29-35-7-6-17(9-25(22)35)21-11-30-36(16(21)2)13-19(38)14-40-3/h6-12,18-19,38H,4-5,13-14H2,1-3H3,(H,31,39)/t19-/m0/s1.

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

N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 562.03 g/mol, XLogP of 3.72, 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-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171656083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).