3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide

C19H24N4O2 — CID 111429259

IUPAC3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCC(C)O
InChIInChI=1S/C19H24N4O2/c1-12(24)10-11-20-18(25)9-8-15-13(2)21-19-16-6-4-5-7-17(16)22-23(19)14(15)3/h4-7,12,24H,8-11H2,1-3H3,(H,20,25)
InChIKeyCDHUVWDJYIEKEO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.32
Rot. Bonds6

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

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide (PubChem CID 111429259) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
PubChem CID111429259
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCC(C)O
InChIInChI=1S/C19H24N4O2/c1-12(24)10-11-20-18(25)9-8-15-13(2)21-19-16-6-4-5-7-17(16)22-23(19)14(15)3/h4-7,12,24H,8-11H2,1-3H3,(H,20,25)
InChIKeyCDHUVWDJYIEKEO-UHFFFAOYSA-N
XLogP2.32
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-hydroxypropyl)propanamide
CID 78855998
3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507242
N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
CID 43067931
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 24619762
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78868909
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 41331796
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 41331787
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55721520
N-(3-hydroxybutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 111433373
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 55620860
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 17470885

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide?
The IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide (CID 111429259) is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCC(C)O.
What is the InChIKey of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide?
The InChIKey is CDHUVWDJYIEKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(24)10-11-20-18(25)9-8-15-13(2)21-19-16-6-4-5-7-17(16)22-23(19)14(15)3/h4-7,12,24H,8-11H2,1-3H3,(H,20,25).
What are the key properties of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide?
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide is sourced from PubChem (CID 111429259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).