N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide

C26H27N5O — CID 55592102

IUPACN-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCc1c(C)nc2c3ccccc3nn2c1C)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C26H27N5O/c1-5-30(18(3)21-12-10-20(16-27)11-13-21)25(32)15-14-22-17(2)28-26-23-8-6-7-9-24(23)29-31(26)19(22)4/h6-13,18H,5,14-15H2,1-4H3
InChIKeyPKXSGVJYEDTOAD-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.91
Rot. Bonds6

About N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide

N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide (PubChem CID 55592102) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide
PubChem CID55592102
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCc1c(C)nc2c3ccccc3nn2c1C)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C26H27N5O/c1-5-30(18(3)21-12-10-20(16-27)11-13-21)25(32)15-14-22-17(2)28-26-23-8-6-7-9-24(23)29-31(26)19(22)4/h6-13,18H,5,14-15H2,1-4H3
InChIKeyPKXSGVJYEDTOAD-UHFFFAOYSA-N
XLogP4.91
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 55593027
N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 24658429
(2-ethoxyphenyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
CID 55476602
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
CID 111429259
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-hydroxypropyl)propanamide
CID 78855998
N-[[4-(dimethylamino)phenyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide
CID 55475078
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 119654934
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 17482492
N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
CID 43067931
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 24610247
3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132
2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide
CID 42953959

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide (CID 55592102) is N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide is CCN(C(=O)CCc1c(C)nc2c3ccccc3nn2c1C)C(C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide?
The InChIKey is PKXSGVJYEDTOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-5-30(18(3)21-12-10-20(16-27)11-13-21)25(32)15-14-22-17(2)28-26-23-8-6-7-9-24(23)29-31(26)19(22)4/h6-13,18H,5,14-15H2,1-4H3.
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide?
N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide has a molecular weight of 425.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide is sourced from PubChem (CID 55592102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).