1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea

C18H23N5O — CID 94172067

About 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea

1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea (PubChem CID 94172067) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea
• PubChem CID: 94172067
• Molecular Formula: C18H23N5O
• Molecular Weight: 325.42 g/mol
• Exact Mass: 325.19
• IUPAC Name: 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea
• SMILES: Cn1ncc2c1CCC[C@H]2NC(=O)N(Cc1ccccn1)C1CC1
• InChI: InChI=1S/C18H23N5O/c1-22-17-7-4-6-16(15(17)11-20-22)21-18(24)23(14-8-9-14)12-13-5-2-3-10-19-13/h2-3,5,10-11,14,16H,4,6-9,12H2,1H3,(H,21,24)/t16-/m1/s1
• InChIKey: SJKGPXCDQQEYDU-MRXNPFEDSA-N
• XLogP: 2.57
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.42
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea?

The IUPAC name of 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea (CID 94172067) is 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea.

What is the SMILES notation for 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea?

The canonical SMILES for 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea is Cn1ncc2c1CCC[C@H]2NC(=O)N(Cc1ccccn1)C1CC1.

What is the InChIKey of 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea?

The InChIKey is SJKGPXCDQQEYDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-17-7-4-6-16(15(17)11-20-22)21-18(24)23(14-8-9-14)12-13-5-2-3-10-19-13/h2-3,5,10-11,14,16H,4,6-9,12H2,1H3,(H,21,24)/t16-/m1/s1.

What are the key properties of 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea?

1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea has a molecular weight of 325.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 94172067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).