N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide

C26H25N7O3 — CID 24574847

IUPACN'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c2ccccc2c1=O
InChIInChI=1S/C26H25N7O3/c1-4-32-26(36)19-10-6-5-9-18(19)23(31-32)25(35)29-28-22(34)14-13-17-15(2)27-24-20-11-7-8-12-21(20)30-33(24)16(17)3/h5-12H,4,13-14H2,1-3H3,(H,28,34)(H,29,35)
InChIKeyHNPYWGLRZBCJHT-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.62
Rot. Bonds5

About N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide

N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 24574847) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
PubChem CID24574847
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c2ccccc2c1=O
InChIInChI=1S/C26H25N7O3/c1-4-32-26(36)19-10-6-5-9-18(19)23(31-32)25(35)29-28-22(34)14-13-17-15(2)27-24-20-11-7-8-12-21(20)30-33(24)16(17)3/h5-12H,4,13-14H2,1-3H3,(H,28,34)(H,29,35)
InChIKeyHNPYWGLRZBCJHT-UHFFFAOYSA-N
XLogP2.62
TPSA123.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
CID 43067931
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27450251
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
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
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 17480071
3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
CID 7979969
1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]-3-(oxolan-2-ylmethyl)thiourea
CID 24637224
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629
3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
CID 24532217

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide (CID 24574847) is N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c2ccccc2c1=O.
What is the InChIKey of N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is HNPYWGLRZBCJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-4-32-26(36)19-10-6-5-9-18(19)23(31-32)25(35)29-28-22(34)14-13-17-15(2)27-24-20-11-7-8-12-21(20)30-33(24)16(17)3/h5-12H,4,13-14H2,1-3H3,(H,28,34)(H,29,35).
What are the key properties of N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide?
N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 483.53 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 24574847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).