N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide

C17H26N4O — CID 78859037

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCCN(C(C)C)C(C)C)c2c1
InChIInChI=1S/C17H26N4O/c1-11(2)21(12(3)4)9-8-18-17(22)16-14-10-13(5)6-7-15(14)19-20-16/h6-7,10-12H,8-9H2,1-5H3,(H,18,22)(H,19,20)
InChIKeyNOVVVMRROIJCFJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78859037) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78859037
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCCN(C(C)C)C(C)C)c2c1
InChIInChI=1S/C17H26N4O/c1-11(2)21(12(3)4)9-8-18-17(22)16-14-10-13(5)6-7-15(14)19-20-16/h6-7,10-12H,8-9H2,1-5H3,(H,18,22)(H,19,20)
InChIKeyNOVVVMRROIJCFJ-UHFFFAOYSA-N
XLogP2.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide
CID 78858986
N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78869375
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-(1-hydroxypropan-2-yl)-N,5-dimethyl-1H-indazole-3-carboxamide
CID 109388543
5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide
CID 56722867
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 56721663
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 86846212

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide (CID 78859037) is N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCCN(C(C)C)C(C)C)c2c1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is NOVVVMRROIJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-11(2)21(12(3)4)9-8-18-17(22)16-14-10-13(5)6-7-15(14)19-20-16/h6-7,10-12H,8-9H2,1-5H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78859037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).