3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide

C22H20N6O — CID 24669341

IUPAC3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C22H20N6O/c1-13-16(14(2)28-22(24-13)17-7-3-4-8-18(17)27-28)10-11-20(29)25-19-9-5-6-15-12-23-26-21(15)19/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H,25,29)
InChIKeyUNOIYXSJVGOWCZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.95
Rot. Bonds4

About 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide (PubChem CID 24669341) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide
PubChem CID24669341
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C22H20N6O/c1-13-16(14(2)28-22(24-13)17-7-3-4-8-18(17)27-28)10-11-20(29)25-19-9-5-6-15-12-23-26-21(15)19/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H,25,29)
InChIKeyUNOIYXSJVGOWCZ-UHFFFAOYSA-N
XLogP3.95
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370690
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
N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 24656121
N-(4-acetamido-3-chlorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 41305553
N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 33078921
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 41337104
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
CID 111429259
N-(1H-indazol-7-yl)butanamide
CID 36575526

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide?
The IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide (CID 24669341) is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide?
The InChIKey is UNOIYXSJVGOWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-13-16(14(2)28-22(24-13)17-7-3-4-8-18(17)27-28)10-11-20(29)25-19-9-5-6-15-12-23-26-21(15)19/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H,25,29).
What are the key properties of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide?
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1H-indazol-7-yl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 3.95, 4 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-(1H-indazol-7-yl)propanamide is sourced from PubChem (CID 24669341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).