4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile

C18H13N5 — CID 132540085

IUPAC4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
SMILESCc1ccc(-c2nc3c4ccccc4nn3c(N)c2C#N)cc1
InChIInChI=1S/C18H13N5/c1-11-6-8-12(9-7-11)16-14(10-19)17(20)23-18(21-16)13-4-2-3-5-15(13)22-23/h2-9H,20H2,1H3
InChIKeyHMMOLRZGLFVCJJ-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.31
Rot. Bonds1

About 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile

4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile (PubChem CID 132540085) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
PubChem CID132540085
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
SMILESCc1ccc(-c2nc3c4ccccc4nn3c(N)c2C#N)cc1
InChIInChI=1S/C18H13N5/c1-11-6-8-12(9-7-11)16-14(10-19)17(20)23-18(21-16)13-4-2-3-5-15(13)22-23/h2-9H,20H2,1H3
InChIKeyHMMOLRZGLFVCJJ-UHFFFAOYSA-N
XLogP3.31
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14950768
6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 5297911
7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 134126134
2,3,4-trimethylpyrimido[1,2-b]indazole
CID 21240475
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 136697158
4-(3,4-dichlorophenyl)-2-(1H-indol-3-yl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 137254118
3-[2-methyl-4-(4-methylphenyl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol
CID 118369308
2,4-dimethylpyrimido[1,2-b]indazole
CID 2320560
4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393650
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
6-(4-methylphenyl)phenanthridine
CID 10707098

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile?
The IUPAC name of 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile (CID 132540085) is 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile?
The canonical SMILES for 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile is Cc1ccc(-c2nc3c4ccccc4nn3c(N)c2C#N)cc1.
What is the InChIKey of 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile?
The InChIKey is HMMOLRZGLFVCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-11-6-8-12(9-7-11)16-14(10-19)17(20)23-18(21-16)13-4-2-3-5-15(13)22-23/h2-9H,20H2,1H3.
What are the key properties of 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile?
4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile has a molecular weight of 299.34 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile is sourced from PubChem (CID 132540085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).