5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

C20H23F3N6O — CID 155530040

IUPAC5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3c(n2)N2CCCC[C@H]2C3)cn1
InChIInChI=1S/C20H23F3N6O/c21-20(22,23)15-10-16(24)25-11-14(15)17-26-18(28-5-7-30-8-6-28)13-9-12-3-1-2-4-29(12)19(13)27-17/h10-12H,1-9H2,(H2,24,25)/t12-/m0/s1
InChIKeyROQYXPYWCLAQKK-LBPRGKRZSA-N
MW420.44 g/mol
LogP2.89
Rot. Bonds2

About 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 155530040) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID155530040
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC Name5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3c(n2)N2CCCC[C@H]2C3)cn1
InChIInChI=1S/C20H23F3N6O/c21-20(22,23)15-10-16(24)25-11-14(15)17-26-18(28-5-7-30-8-6-28)13-9-12-3-1-2-4-29(12)19(13)27-17/h10-12H,1-9H2,(H2,24,25)/t12-/m0/s1
InChIKeyROQYXPYWCLAQKK-LBPRGKRZSA-N
XLogP2.89
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-(6-morpholin-4-yl-11,11-dioxo-11λ6-thia-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 123201617
5-[(9S)-4-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-6-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 118000036
5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807790
5-[4-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508292
5-[4-(2,5-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807779
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 146544500
2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 146544495
4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine;bis(4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine);5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 163794523
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
5-[7-methyl-4-morpholin-4-yl-6-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 146544501

Frequently Asked Questions

What is the IUPAC name of 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 155530040) is 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3c(n2)N2CCCC[C@H]2C3)cn1.
What is the InChIKey of 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ROQYXPYWCLAQKK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23F3N6O/c21-20(22,23)15-10-16(24)25-11-14(15)17-26-18(28-5-7-30-8-6-28)13-9-12-3-1-2-4-29(12)19(13)27-17/h10-12H,1-9H2,(H2,24,25)/t12-/m0/s1.
What are the key properties of 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 420.44 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5aS)-4-morpholin-4-yl-5,5a,6,7,8,9-hexahydropyrimido[5,4-b]indolizin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 155530040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).