1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea

C25H23ClN10O — CID 165130722

About 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea

1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea (PubChem CID 165130722) has the molecular formula C25H23ClN10O and a molecular weight of 514.98 g/mol. Its IUPAC name is 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea
• PubChem CID: 165130722
• Molecular Formula: C25H23ClN10O
• Molecular Weight: 514.98 g/mol
• Exact Mass: 514.17
• IUPAC Name: 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea
• SMILES: O=C(NCc1cc(Cl)ccc1-n1cnnn1)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1
• InChI: InChI=1S/C25H23ClN10O/c26-19-4-5-22(36-15-30-33-34-36)18(9-19)11-29-25(37)32-23-10-20(7-8-27-23)28-12-21-14-35-13-17(16-1-2-16)3-6-24(35)31-21/h3-10,13-16H,1-2,11-12H2,(H3,27,28,29,32,37)
• InChIKey: ASAZQGBQKKWGJC-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 126.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.98
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea?

The IUPAC name of 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea (CID 165130722) is 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea.

What is the SMILES notation for 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea?

The canonical SMILES for 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea is O=C(NCc1cc(Cl)ccc1-n1cnnn1)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1.

What is the InChIKey of 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea?

The InChIKey is ASAZQGBQKKWGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN10O/c26-19-4-5-22(36-15-30-33-34-36)18(9-19)11-29-25(37)32-23-10-20(7-8-27-23)28-12-21-14-35-13-17(16-1-2-16)3-6-24(35)31-21/h3-10,13-16H,1-2,11-12H2,(H3,27,28,29,32,37).

What are the key properties of 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea?

1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea has a molecular weight of 514.98 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]urea is sourced from PubChem (CID 165130722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).