N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine

C24H20F3N7 — CID 118388816

IUPACN-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cncc2nc(-c3ccnc4[nH]c5ccccc5c34)nc(NC3CCNCC3)c12
InChIInChI=1S/C24H20F3N7/c25-24(26,27)16-11-29-12-18-20(16)23(31-13-5-8-28-9-6-13)34-21(33-18)15-7-10-30-22-19(15)14-3-1-2-4-17(14)32-22/h1-4,7,10-13,28H,5-6,8-9H2,(H,30,32)(H,31,33,34)
InChIKeyRSCAWOZSCODUIF-UHFFFAOYSA-N
MW463.47 g/mol
LogP4.90
Rot. Bonds3

About N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine

N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 118388816) has the molecular formula C24H20F3N7 and a molecular weight of 463.47 g/mol. Its IUPAC name is N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID118388816
Molecular FormulaC24H20F3N7
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC NameN-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cncc2nc(-c3ccnc4[nH]c5ccccc5c34)nc(NC3CCNCC3)c12
InChIInChI=1S/C24H20F3N7/c25-24(26,27)16-11-29-12-18-20(16)23(31-13-5-8-28-9-6-13)34-21(33-18)15-7-10-30-22-19(15)14-3-1-2-4-17(14)32-22/h1-4,7,10-13,28H,5-6,8-9H2,(H,30,32)(H,31,33,34)
InChIKeyRSCAWOZSCODUIF-UHFFFAOYSA-N
XLogP4.90
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

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-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 161016779
(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
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
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-(5-cyclobutyl-4-methoxypyrido[3,4-d]pyrimidin-2-yl)-9H-pyrido[2,3-b]indole
CID 118388227
N-(3-azabicyclo[4.1.0]heptan-6-yl)-5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388100
4-[4-chloro-5-(cyclobutadienyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 118388690
5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388110

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 118388816) is N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine is FC(F)(F)c1cncc2nc(-c3ccnc4[nH]c5ccccc5c34)nc(NC3CCNCC3)c12.
What is the InChIKey of N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is RSCAWOZSCODUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7/c25-24(26,27)16-11-29-12-18-20(16)23(31-13-5-8-28-9-6-13)34-21(33-18)15-7-10-30-22-19(15)14-3-1-2-4-17(14)32-22/h1-4,7,10-13,28H,5-6,8-9H2,(H,30,32)(H,31,33,34).
What are the key properties of N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine?
N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 463.47 g/mol, XLogP of 4.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118388816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).