6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine

C23H25F2N7O2 — CID 148965503

IUPAC6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESFC(F)c1nnc(-c2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)o1
InChIInChI=1S/C23H25F2N7O2/c24-19(25)23-31-30-22(34-23)13-1-6-17-16(11-13)18-20(26-12-27-21(18)29-17)28-14-2-4-15(5-3-14)32-7-9-33-10-8-32/h1,6,11-12,14-15,19H,2-5,7-10H2,(H2,26,27,28,29)
InChIKeyPSQSZPDLWJSTEZ-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.15
Rot. Bonds5

About 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 148965503) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID148965503
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESFC(F)c1nnc(-c2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)o1
InChIInChI=1S/C23H25F2N7O2/c24-19(25)23-31-30-22(34-23)13-1-6-17-16(11-13)18-20(26-12-27-21(18)29-17)28-14-2-4-15(5-3-14)32-7-9-33-10-8-32/h1,6,11-12,14-15,19H,2-5,7-10H2,(H2,26,27,28,29)
InChIKeyPSQSZPDLWJSTEZ-UHFFFAOYSA-N
XLogP4.15
TPSA104.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-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-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine (CID 148965503) is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine is FC(F)c1nnc(-c2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)o1.
What is the InChIKey of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is PSQSZPDLWJSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c24-19(25)23-31-30-22(34-23)13-1-6-17-16(11-13)18-20(26-12-27-21(18)29-17)28-14-2-4-15(5-3-14)32-7-9-33-10-8-32/h1,6,11-12,14-15,19H,2-5,7-10H2,(H2,26,27,28,29).
What are the key properties of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine?
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 469.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 148965503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).