N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide

C29H26N4O2 — CID 87828255

IUPACN-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide
SMILESN#Cc1ccc2c(c1)c(-c1cccc(N(C=O)C3Cc4ccccc4C3)c1)nn2C1CCCCO1
InChIInChI=1S/C29H26N4O2/c30-18-20-11-12-27-26(14-20)29(31-33(27)28-10-3-4-13-35-28)23-8-5-9-24(17-23)32(19-34)25-15-21-6-1-2-7-22(21)16-25/h1-2,5-9,11-12,14,17,19,25,28H,3-4,10,13,15-16H2
InChIKeyOOERRZXCRRDAOS-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.40
Rot. Bonds5

About N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide

N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide (PubChem CID 87828255) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide.

Molecular Properties

Compound NameN-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide
PubChem CID87828255
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC NameN-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide
SMILESN#Cc1ccc2c(c1)c(-c1cccc(N(C=O)C3Cc4ccccc4C3)c1)nn2C1CCCCO1
InChIInChI=1S/C29H26N4O2/c30-18-20-11-12-27-26(14-20)29(31-33(27)28-10-3-4-13-35-28)23-8-5-9-24(17-23)32(19-34)25-15-21-6-1-2-7-22(21)16-25/h1-2,5-9,11-12,14,17,19,25,28H,3-4,10,13,15-16H2
InChIKeyOOERRZXCRRDAOS-UHFFFAOYSA-N
XLogP5.40
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide?
The IUPAC name of N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide (CID 87828255) is N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide.
What is the SMILES notation for N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide?
The canonical SMILES for N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide is N#Cc1ccc2c(c1)c(-c1cccc(N(C=O)C3Cc4ccccc4C3)c1)nn2C1CCCCO1.
What is the InChIKey of N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide?
The InChIKey is OOERRZXCRRDAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c30-18-20-11-12-27-26(14-20)29(31-33(27)28-10-3-4-13-35-28)23-8-5-9-24(17-23)32(19-34)25-15-21-6-1-2-7-22(21)16-25/h1-2,5-9,11-12,14,17,19,25,28H,3-4,10,13,15-16H2.
What are the key properties of N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide?
N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide has a molecular weight of 462.55 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide is sourced from PubChem (CID 87828255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).