N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

C29H34N6O — CID 134140703

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCC(C)N(CCNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)C(C)C
InChIInChI=1S/C29H34N6O/c1-20(2)35(21(3)4)18-17-31-29(36)25-10-5-6-11-26(25)32-23-12-14-24-27(33-34-28(24)19-23)15-13-22-9-7-8-16-30-22/h5-16,19-21,32H,17-18H2,1-4H3,(H,31,36)(H,33,34)/b15-13+
InChIKeyDRIBKORAFSGKDV-FYWRMAATSA-N
MW482.63 g/mol
LogP5.72
Rot. Bonds10

About N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (PubChem CID 134140703) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
PubChem CID134140703
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCC(C)N(CCNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)C(C)C
InChIInChI=1S/C29H34N6O/c1-20(2)35(21(3)4)18-17-31-29(36)25-10-5-6-11-26(25)32-23-12-14-24-27(33-34-28(24)19-23)15-13-22-9-7-8-16-30-22/h5-16,19-21,32H,17-18H2,1-4H3,(H,31,36)(H,33,34)/b15-13+
InChIKeyDRIBKORAFSGKDV-FYWRMAATSA-N
XLogP5.72
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (CID 134140703) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is CC(C)N(CCNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The InChIKey is DRIBKORAFSGKDV-FYWRMAATSA-N. The full InChI is InChI=1S/C29H34N6O/c1-20(2)35(21(3)4)18-17-31-29(36)25-10-5-6-11-26(25)32-23-12-14-24-27(33-34-28(24)19-23)15-13-22-9-7-8-16-30-22/h5-16,19-21,32H,17-18H2,1-4H3,(H,31,36)(H,33,34)/b15-13+.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide has a molecular weight of 482.63 g/mol, XLogP of 5.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 134140703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).