4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

C22H33N7O — CID 163349345

IUPAC4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)n1
InChIInChI=1S/C22H33N7O/c1-17-23-21(15-22(24-17)29-11-13-30-14-12-29)28-9-7-27(8-10-28)16-20-18-5-3-4-6-19(18)25-26(20)2/h15H,3-14,16H2,1-2H3
InChIKeyGRUMIILVQTXGNN-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.56
Rot. Bonds4

About 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 163349345) has the molecular formula C22H33N7O and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID163349345
Molecular FormulaC22H33N7O
Molecular Weight411.55 g/mol
Exact Mass411.27
IUPAC Name4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)n1
InChIInChI=1S/C22H33N7O/c1-17-23-21(15-22(24-17)29-11-13-30-14-12-29)28-9-7-27(8-10-28)16-20-18-5-3-4-6-19(18)25-26(20)2/h15H,3-14,16H2,1-2H3
InChIKeyGRUMIILVQTXGNN-UHFFFAOYSA-N
XLogP1.56
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole
CID 163348966
N,N-dimethyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-amine
CID 163351009
4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 155800699
2-methyl-3-[[4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 155941925
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 163357654
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161
4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 133461049
2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 155823138
4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 154883066
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079862

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 163349345) is 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)n1.
What is the InChIKey of 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is GRUMIILVQTXGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O/c1-17-23-21(15-22(24-17)29-11-13-30-14-12-29)28-9-7-27(8-10-28)16-20-18-5-3-4-6-19(18)25-26(20)2/h15H,3-14,16H2,1-2H3.
What are the key properties of 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 411.55 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 163349345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).