N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide

C26H27N5O — CID 90370081

IUPACN-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide
SMILESCC(c1ccccc1)n1ncc2c(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)cccc21
InChIInChI=1S/C26H27N5O/c1-17(18-6-3-2-4-7-18)31-25-9-5-8-22(23(25)16-28-31)26(32)30(20-10-11-20)21-12-13-24-19(14-21)15-27-29-24/h2-9,15-17,20-21H,10-14H2,1H3,(H,27,29)
InChIKeyDMGOQCCYSZULOH-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.53
Rot. Bonds5

About N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide

N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide (PubChem CID 90370081) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide
PubChem CID90370081
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide
SMILESCC(c1ccccc1)n1ncc2c(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)cccc21
InChIInChI=1S/C26H27N5O/c1-17(18-6-3-2-4-7-18)31-25-9-5-8-22(23(25)16-28-31)26(32)30(20-10-11-20)21-12-13-24-19(14-21)15-27-29-24/h2-9,15-17,20-21H,10-14H2,1H3,(H,27,29)
InChIKeyDMGOQCCYSZULOH-UHFFFAOYSA-N
XLogP4.53
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide (CID 90370081) is N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide is CC(c1ccccc1)n1ncc2c(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)cccc21.
What is the InChIKey of N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide?
The InChIKey is DMGOQCCYSZULOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-17(18-6-3-2-4-7-18)31-25-9-5-8-22(23(25)16-28-31)26(32)30(20-10-11-20)21-12-13-24-19(14-21)15-27-29-24/h2-9,15-17,20-21H,10-14H2,1H3,(H,27,29).
What are the key properties of N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide?
N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide is sourced from PubChem (CID 90370081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).