2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol

C25H22F3N7O — CID 118388826

IUPAC2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
SMILESCN(c1nc(-c2ccnc3[nH]c4ccccc4c23)nc2cncc(C(F)(F)F)c12)C1CC(N)C(O)C1
InChIInChI=1S/C25H22F3N7O/c1-35(12-8-16(29)19(36)9-12)24-21-15(25(26,27)28)10-30-11-18(21)33-22(34-24)14-6-7-31-23-20(14)13-4-2-3-5-17(13)32-23/h2-7,10-12,16,19,36H,8-9,29H2,1H3,(H,31,32)
InChIKeyMREVHSBZVTZGOZ-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.03
Rot. Bonds3

About 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol

2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol (PubChem CID 118388826) has the molecular formula C25H22F3N7O and a molecular weight of 493.49 g/mol. Its IUPAC name is 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
PubChem CID118388826
Molecular FormulaC25H22F3N7O
Molecular Weight493.49 g/mol
Exact Mass493.18
IUPAC Name2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
SMILESCN(c1nc(-c2ccnc3[nH]c4ccccc4c23)nc2cncc(C(F)(F)F)c12)C1CC(N)C(O)C1
InChIInChI=1S/C25H22F3N7O/c1-35(12-8-16(29)19(36)9-12)24-21-15(25(26,27)28)10-30-11-18(21)33-22(34-24)14-6-7-31-23-20(14)13-4-2-3-5-17(13)32-23/h2-7,10-12,16,19,36H,8-9,29H2,1H3,(H,31,32)
InChIKeyMREVHSBZVTZGOZ-UHFFFAOYSA-N
XLogP4.03
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol 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

N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388816
4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 161016779
N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine;ethane
CID 144934856
4-(5-cyclobutyl-4-methoxypyrido[3,4-d]pyrimidin-2-yl)-9H-pyrido[2,3-b]indole
CID 118388227
4-[4-chloro-5-(cyclobutadienyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 118388690
(3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 118388589
(3R,5S)-5-[[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]azepan-3-ol
CID 118388689
5-cyclobutyl-N-[(3R,4R)-3-methylpiperidin-4-yl]-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388134
N-[(1S,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 139473906
(3R,4R)-4-[[5-(cyclobutadienyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-3-methylpiperidin-3-ol
CID 118388727
4-[5-cyclobutyl-4-(1-oxidopiperazin-1-ium-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 144884987
4-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-cyclobutylpyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 118410193

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol (CID 118388826) is 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol is CN(c1nc(-c2ccnc3[nH]c4ccccc4c23)nc2cncc(C(F)(F)F)c12)C1CC(N)C(O)C1.
What is the InChIKey of 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is MREVHSBZVTZGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O/c1-35(12-8-16(29)19(36)9-12)24-21-15(25(26,27)28)10-30-11-18(21)33-22(34-24)14-6-7-31-23-20(14)13-4-2-3-5-17(13)32-23/h2-7,10-12,16,19,36H,8-9,29H2,1H3,(H,31,32).
What are the key properties of 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol?
2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 493.49 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 118388826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).