6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole

C18H22N4O2 — CID 14293792

IUPAC6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole
SMILESCOc1cc2[nH]c3nc(C)nc(N4CCCCC4)c3c2cc1OC
InChIInChI=1S/C18H22N4O2/c1-11-19-17-16(18(20-11)22-7-5-4-6-8-22)12-9-14(23-2)15(24-3)10-13(12)21-17/h9-10H,4-8H2,1-3H3,(H,19,20,21)
InChIKeyXPULLZOKDYSMPF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.43
Rot. Bonds3

About 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole

6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole (PubChem CID 14293792) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole
PubChem CID14293792
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole
SMILESCOc1cc2[nH]c3nc(C)nc(N4CCCCC4)c3c2cc1OC
InChIInChI=1S/C18H22N4O2/c1-11-19-17-16(18(20-11)22-7-5-4-6-8-22)12-9-14(23-2)15(24-3)10-13(12)21-17/h9-10H,4-8H2,1-3H3,(H,19,20,21)
InChIKeyXPULLZOKDYSMPF-UHFFFAOYSA-N
XLogP3.43
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430224
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)-9H-pyrimido[4,5-b]indole
CID 14293777
4-(azetidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-9H-pyrimido[4,5-b]indole
CID 137356284
7,8-dimethoxy-4-pyrrolidin-1-yl-5H-pyrimido[5,4-b]indole
CID 942038
8-methoxy-1-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356382
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
4-[6-methoxy-2-methyl-4-(3-pyrrolidin-1-ylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90388512
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
1-fluoro-8-methoxy-3-methyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 166723373
6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
CID 68781324
4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole?
The IUPAC name of 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole (CID 14293792) is 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole?
The canonical SMILES for 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole is COc1cc2[nH]c3nc(C)nc(N4CCCCC4)c3c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole?
The InChIKey is XPULLZOKDYSMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-19-17-16(18(20-11)22-7-5-4-6-8-22)12-9-14(23-2)15(24-3)10-13(12)21-17/h9-10H,4-8H2,1-3H3,(H,19,20,21).
What are the key properties of 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole?
6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole has a molecular weight of 326.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole is sourced from PubChem (CID 14293792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).