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

C27H27N7O — CID 118388110

IUPAC5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)[nH]c1nccc(-c3nc(NCC4COCCN4)c4c(C5CCC5)cncc4n3)c12
InChIInChI=1S/C27H27N7O/c1-2-7-21-18(6-1)23-19(8-9-30-26(23)32-21)25-33-22-14-28-13-20(16-4-3-5-16)24(22)27(34-25)31-12-17-15-35-11-10-29-17/h1-2,6-9,13-14,16-17,29H,3-5,10-12,15H2,(H,30,32)(H,31,33,34)
InChIKeyCDBMZZNTQUEVDC-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.39
Rot. Bonds5

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

5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 118388110) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID118388110
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)[nH]c1nccc(-c3nc(NCC4COCCN4)c4c(C5CCC5)cncc4n3)c12
InChIInChI=1S/C27H27N7O/c1-2-7-21-18(6-1)23-19(8-9-30-26(23)32-21)25-33-22-14-28-13-20(16-4-3-5-16)24(22)27(34-25)31-12-17-15-35-11-10-29-17/h1-2,6-9,13-14,16-17,29H,3-5,10-12,15H2,(H,30,32)(H,31,33,34)
InChIKeyCDBMZZNTQUEVDC-UHFFFAOYSA-N
XLogP4.39
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
(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
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
(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
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
N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388816
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
N-[(2-methyl-1H-indol-3-yl)methyl]-1-morpholin-3-ylmethanamine
CID 115238025
4-(5-cyclopentyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-6-(trifluoromethoxy)-9H-pyrido[2,3-b]indole
CID 123708933

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine (CID 118388110) is 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine is c1ccc2c(c1)[nH]c1nccc(-c3nc(NCC4COCCN4)c4c(C5CCC5)cncc4n3)c12.
What is the InChIKey of 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is CDBMZZNTQUEVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-2-7-21-18(6-1)23-19(8-9-30-26(23)32-21)25-33-22-14-28-13-20(16-4-3-5-16)24(22)27(34-25)31-12-17-15-35-11-10-29-17/h1-2,6-9,13-14,16-17,29H,3-5,10-12,15H2,(H,30,32)(H,31,33,34).
What are the key properties of 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 465.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-(morpholin-3-ylmethyl)-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118388110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).