N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide

C17H19N5O2 — CID 43067931

IUPACN'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
SMILESCC(=O)NNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C
InChIInChI=1S/C17H19N5O2/c1-10-13(8-9-16(24)20-19-12(3)23)11(2)22-17(18-10)14-6-4-5-7-15(14)21-22/h4-7H,8-9H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyNVKCVBFMWRGAQA-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.60
Rot. Bonds3

About N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide

N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide (PubChem CID 43067931) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
PubChem CID43067931
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
SMILESCC(=O)NNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C
InChIInChI=1S/C17H19N5O2/c1-10-13(8-9-16(24)20-19-12(3)23)11(2)22-17(18-10)14-6-4-5-7-15(14)21-22/h4-7H,8-9H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyNVKCVBFMWRGAQA-UHFFFAOYSA-N
XLogP1.60
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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-(2-hydroxypropyl)propanamide
CID 78855998
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370690
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
CID 111429259
N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 24574847
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-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507242
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 17482492
N-(4-acetamido-3-chlorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 41305553
N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 24656121
1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]-3-(oxolan-2-ylmethyl)thiourea
CID 24637224
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 N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide?
The IUPAC name of N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide (CID 43067931) is N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide.
What is the SMILES notation for N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide?
The canonical SMILES for N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide is CC(=O)NNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C.
What is the InChIKey of N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide?
The InChIKey is NVKCVBFMWRGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-13(8-9-16(24)20-19-12(3)23)11(2)22-17(18-10)14-6-4-5-7-15(14)21-22/h4-7H,8-9H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide?
N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide has a molecular weight of 325.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide is sourced from PubChem (CID 43067931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).