6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine

C26H29FN6O — CID 162067741

IUPAC6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCc1cc2[nH]c3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2cc1-c1cncc(F)c1
InChIInChI=1S/C26H29FN6O/c1-16-10-23-22(12-21(16)17-11-18(27)14-28-13-17)24-25(29-15-30-26(24)32-23)31-19-2-4-20(5-3-19)33-6-8-34-9-7-33/h10-15,19-20H,2-9H2,1H3,(H2,29,30,31,32)
InChIKeyZARFGCITRQOZSZ-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.68
Rot. Bonds4

About 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine

6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 162067741) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID162067741
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC Name6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCc1cc2[nH]c3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2cc1-c1cncc(F)c1
InChIInChI=1S/C26H29FN6O/c1-16-10-23-22(12-21(16)17-11-18(27)14-28-13-17)24-25(29-15-30-26(24)32-23)31-19-2-4-20(5-3-19)33-6-8-34-9-7-33/h10-15,19-20H,2-9H2,1H3,(H2,29,30,31,32)
InChIKeyZARFGCITRQOZSZ-UHFFFAOYSA-N
XLogP4.68
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine (CID 162067741) is 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine is Cc1cc2[nH]c3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2cc1-c1cncc(F)c1.
What is the InChIKey of 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is ZARFGCITRQOZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O/c1-16-10-23-22(12-21(16)17-11-18(27)14-28-13-17)24-25(29-15-30-26(24)32-23)31-19-2-4-20(5-3-19)33-6-8-34-9-7-33/h10-15,19-20H,2-9H2,1H3,(H2,29,30,31,32).
What are the key properties of 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine?
6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 460.56 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 162067741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).