cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate

C25H24ClN5O3 — CID 169207898

About cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate

cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate (PubChem CID 169207898) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate.

Molecular Properties

• Compound Name: cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate
• PubChem CID: 169207898
• Molecular Formula: C25H24ClN5O3
• Molecular Weight: 477.95 g/mol
• Exact Mass: 477.16
• IUPAC Name: cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate
• SMILES: N#Cc1ccc(Cl)c(-c2ccc3c(c2)c(NC(=O)[C@@H]2CCCNC2)nn3C(=O)OCC2CC2)c1
• InChI: InChI=1S/C25H24ClN5O3/c26-21-7-5-16(12-27)10-19(21)17-6-8-22-20(11-17)23(29-24(32)18-2-1-9-28-13-18)30-31(22)25(33)34-14-15-3-4-15/h5-8,10-11,15,18,28H,1-4,9,13-14H2,(H,29,30,32)/t18-/m1/s1
• InChIKey: XEGSJWFSJLHKRM-GOSISDBHSA-N
• XLogP: 4.56
• TPSA: 109.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.95
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate?

The IUPAC name of cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate (CID 169207898) is cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate.

What is the SMILES notation for cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate?

The canonical SMILES for cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate is N#Cc1ccc(Cl)c(-c2ccc3c(c2)c(NC(=O)[C@@H]2CCCNC2)nn3C(=O)OCC2CC2)c1.

What is the InChIKey of cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate?

The InChIKey is XEGSJWFSJLHKRM-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c26-21-7-5-16(12-27)10-19(21)17-6-8-22-20(11-17)23(29-24(32)18-2-1-9-28-13-18)30-31(22)25(33)34-14-15-3-4-15/h5-8,10-11,15,18,28H,1-4,9,13-14H2,(H,29,30,32)/t18-/m1/s1.

What are the key properties of cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate?

cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate has a molecular weight of 477.95 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl 5-(2-chloro-5-cyanophenyl)-3-[[(3R)-piperidine-3-carbonyl]amino]indazole-1-carboxylate is sourced from PubChem (CID 169207898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).