N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide

C21H26N4O — CID 24658429

IUPACN-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)C(C)C1CC1
InChIInChI=1S/C21H26N4O/c1-13-17(11-12-20(26)24(4)14(2)16-9-10-16)15(3)25-21(22-13)18-7-5-6-8-19(18)23-25/h5-8,14,16H,9-12H2,1-4H3
InChIKeyHDOZGAOGZTVRGB-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.69
Rot. Bonds5

About N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide

N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide (PubChem CID 24658429) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
PubChem CID24658429
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)C(C)C1CC1
InChIInChI=1S/C21H26N4O/c1-13-17(11-12-20(26)24(4)14(2)16-9-10-16)15(3)25-21(22-13)18-7-5-6-8-19(18)23-25/h5-8,14,16H,9-12H2,1-4H3
InChIKeyHDOZGAOGZTVRGB-UHFFFAOYSA-N
XLogP3.69
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide (CID 24658429) is N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The InChIKey is HDOZGAOGZTVRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-13-17(11-12-20(26)24(4)14(2)16-9-10-16)15(3)25-21(22-13)18-7-5-6-8-19(18)23-25/h5-8,14,16H,9-12H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide has a molecular weight of 350.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 24658429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).