6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine

C30H39N7O3S — CID 163790909

IUPAC6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCC(n2cc(-c3ccc4c(c3)-c3c(ncnc3NC3CCC(N5CCOCC5)CC3)C4)cn2)CC1
InChIInChI=1S/C30H39N7O3S/c1-41(38,39)36-10-8-26(9-11-36)37-19-23(18-33-37)21-2-3-22-17-28-29(27(22)16-21)30(32-20-31-28)34-24-4-6-25(7-5-24)35-12-14-40-15-13-35/h2-3,16,18-20,24-26H,4-15,17H2,1H3,(H,31,32,34)
InChIKeyMWQJHLHDLNVCDZ-UHFFFAOYSA-N
MW577.76 g/mol
LogP3.56
Rot. Bonds6

About 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine

6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine (PubChem CID 163790909) has the molecular formula C30H39N7O3S and a molecular weight of 577.76 g/mol. Its IUPAC name is 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
PubChem CID163790909
Molecular FormulaC30H39N7O3S
Molecular Weight577.76 g/mol
Exact Mass577.28
IUPAC Name6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCC(n2cc(-c3ccc4c(c3)-c3c(ncnc3NC3CCC(N5CCOCC5)CC3)C4)cn2)CC1
InChIInChI=1S/C30H39N7O3S/c1-41(38,39)36-10-8-26(9-11-36)37-19-23(18-33-37)21-2-3-22-17-28-29(27(22)16-21)30(32-20-31-28)34-24-4-6-25(7-5-24)35-12-14-40-15-13-35/h2-3,16,18-20,24-26H,4-15,17H2,1H3,(H,31,32,34)
InChIKeyMWQJHLHDLNVCDZ-UHFFFAOYSA-N
XLogP3.56
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 163594104
12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine
CID 163645764
N-(4-morpholin-4-ylcyclohexyl)-6-(1-piperidin-4-ylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 147649468
ethyl 4-[[4-(dimethylamino)cyclohexyl]amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-(4-methoxyanilino)-9H-indeno[2,1-d]pyrimidine-6-carboxylate;ethyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-6-carboxylate;methyl 4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-indeno[2,1-d]pyrimidine-7-carboxylate
CID 163419488
5-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 160795123
1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 163573924
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 163439512
3-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]cyclohex-3-en-1-one
CID 130236172
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine
CID 163566539

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The IUPAC name of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine (CID 163790909) is 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The canonical SMILES for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine is CS(=O)(=O)N1CCC(n2cc(-c3ccc4c(c3)-c3c(ncnc3NC3CCC(N5CCOCC5)CC3)C4)cn2)CC1.
What is the InChIKey of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
The InChIKey is MWQJHLHDLNVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O3S/c1-41(38,39)36-10-8-26(9-11-36)37-19-23(18-33-37)21-2-3-22-17-28-29(27(22)16-21)30(32-20-31-28)34-24-4-6-25(7-5-24)35-12-14-40-15-13-35/h2-3,16,18-20,24-26H,4-15,17H2,1H3,(H,31,32,34).
What are the key properties of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine?
6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine has a molecular weight of 577.76 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine is sourced from PubChem (CID 163790909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).