[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone

C23H20ClN7O2 — CID 169164945

About [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone

[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 169164945) has the molecular formula C23H20ClN7O2 and a molecular weight of 461.91 g/mol. Its IUPAC name is [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone
• PubChem CID: 169164945
• Molecular Formula: C23H20ClN7O2
• Molecular Weight: 461.91 g/mol
• Exact Mass: 461.14
• IUPAC Name: [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone
• SMILES: COCc1ccc2c(C(=O)N3CCc4[nH]cnc4[C@@H]3c3cc4c(Cl)cccn4n3)cnn2c1
• InChI: InChI=1S/C23H20ClN7O2/c1-33-12-14-4-5-19-15(10-27-31(19)11-14)23(32)29-8-6-17-21(26-13-25-17)22(29)18-9-20-16(24)3-2-7-30(20)28-18/h2-5,7,9-11,13,22H,6,8,12H2,1H3,(H,25,26)/t22-/m0/s1
• InChIKey: LJYULAZATQRLKY-QFIPXVFZSA-N
• XLogP: 3.29
• TPSA: 92.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.91
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone?

The IUPAC name of [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 169164945) is [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone.

What is the SMILES notation for [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone?

The canonical SMILES for [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone is COCc1ccc2c(C(=O)N3CCc4[nH]cnc4[C@@H]3c3cc4c(Cl)cccn4n3)cnn2c1.

What is the InChIKey of [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone?

The InChIKey is LJYULAZATQRLKY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20ClN7O2/c1-33-12-14-4-5-19-15(10-27-31(19)11-14)23(32)29-8-6-17-21(26-13-25-17)22(29)18-9-20-16(24)3-2-7-30(20)28-18/h2-5,7,9-11,13,22H,6,8,12H2,1H3,(H,25,26)/t22-/m0/s1.

What are the key properties of [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone?

[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 461.91 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(methoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 169164945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).