3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

C19H26ClN5O — CID 119507242

IUPAC3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C.Cl
InChIInChI=1S/C19H25N5O.ClH/c1-4-20-11-12-21-18(25)10-9-15-13(2)22-19-16-7-5-6-8-17(16)23-24(19)14(15)3;/h5-8,20H,4,9-12H2,1-3H3,(H,21,25);1H
InChIKeyRROUYEAVASIKIR-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.58
Rot. Bonds7

About 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (PubChem CID 119507242) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
PubChem CID119507242
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C.Cl
InChIInChI=1S/C19H25N5O.ClH/c1-4-20-11-12-21-18(25)10-9-15-13(2)22-19-16-7-5-6-8-17(16)23-24(19)14(15)3;/h5-8,20H,4,9-12H2,1-3H3,(H,21,25);1H
InChIKeyRROUYEAVASIKIR-UHFFFAOYSA-N
XLogP2.58
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(3-hydroxybutyl)propanamide
CID 111429259
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-hydroxypropyl)propanamide
CID 78855998
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-([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-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78868909
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-(4-methoxyphenyl)propanamide
CID 17480071
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370690
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide;hydrochloride
CID 119566802

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (CID 119507242) is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is CCNCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C.Cl.
What is the InChIKey of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is RROUYEAVASIKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.ClH/c1-4-20-11-12-21-18(25)10-9-15-13(2)22-19-16-7-5-6-8-17(16)23-24(19)14(15)3;/h5-8,20H,4,9-12H2,1-3H3,(H,21,25);1H.
What are the key properties of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.58, 7 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-[2-(ethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119507242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).