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

C25H24N6O — CID 33078921

IUPACN-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C25H24N6O/c1-17-20(18(2)31-25(27-17)21-10-6-7-11-22(21)29-31)12-13-24(32)28-23-14-15-26-30(23)16-19-8-4-3-5-9-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,32)
InChIKeyFGXCYKUEANKAOM-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.32
Rot. Bonds6

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

N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide (PubChem CID 33078921) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
PubChem CID33078921
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC NameN-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C25H24N6O/c1-17-20(18(2)31-25(27-17)21-10-6-7-11-22(21)29-31)12-13-24(32)28-23-14-15-26-30(23)16-19-8-4-3-5-9-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,32)
InChIKeyFGXCYKUEANKAOM-UHFFFAOYSA-N
XLogP4.32
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132
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-(4-methoxyphenyl)propanamide
CID 17480071
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CID 41305553
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-(1H-indazol-7-yl)propanamide
CID 24669341
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-hydroxypropyl)propanamide
CID 78855998
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CID 41337104
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-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 24618252
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-(ethylamino)ethyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide (CID 33078921) is N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The InChIKey is FGXCYKUEANKAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17-20(18(2)31-25(27-17)21-10-6-7-11-22(21)29-31)12-13-24(32)28-23-14-15-26-30(23)16-19-8-4-3-5-9-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,32).
What are the key properties of N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide has a molecular weight of 424.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide is sourced from PubChem (CID 33078921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).