4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

C23H28N6 — CID 163640585

IUPAC4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3c2-c2cc(-c4cnn(C)c4)ccc2C3)CC1
InChIInChI=1S/C23H28N6/c1-28(2)19-8-6-18(7-9-19)27-23-22-20-10-15(17-12-26-29(3)13-17)4-5-16(20)11-21(22)24-14-25-23/h4-5,10,12-14,18-19H,6-9,11H2,1-3H3,(H,24,25,27)
InChIKeyNFQPKGHQFMLIQR-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.73
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine (PubChem CID 163640585) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
PubChem CID163640585
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3c2-c2cc(-c4cnn(C)c4)ccc2C3)CC1
InChIInChI=1S/C23H28N6/c1-28(2)19-8-6-18(7-9-19)27-23-22-20-10-15(17-12-26-29(3)13-17)4-5-16(20)11-21(22)24-14-25-23/h4-5,10,12-14,18-19H,6-9,11H2,1-3H3,(H,24,25,27)
InChIKeyNFQPKGHQFMLIQR-UHFFFAOYSA-N
XLogP3.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

JAK3 inhibitor 34
CID 137321160
[(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroinden-1-yl]cyanamide
CID 137349398
1-(1-Methylethyl)-3-(Naphthalen-1-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 24864847
kinase inhibitor 2 [PMID: 30199702]
CID 134813913
3-(2-Naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70682513
N-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4366552
[1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroinden-1-yl]cyanamide
CID 145988137
2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162669622
5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1481840
5-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1481859
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3813473

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine (CID 163640585) is 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine is CN(C)C1CCC(Nc2ncnc3c2-c2cc(-c4cnn(C)c4)ccc2C3)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is NFQPKGHQFMLIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-28(2)19-8-6-18(7-9-19)27-23-22-20-10-15(17-12-26-29(3)13-17)4-5-16(20)11-21(22)24-14-25-23/h4-5,10,12-14,18-19H,6-9,11H2,1-3H3,(H,24,25,27).
What are the key properties of 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 388.52 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 163640585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).