5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine

C27H32N4O — CID 66766090

IUPAC5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
SMILESCC(N)CCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12
InChIInChI=1S/C27H32N4O/c1-19(28)3-2-4-23-10-11-24-25-17-22(9-12-26(25)30-27(24)29-23)21-7-5-20(6-8-21)18-31-13-15-32-16-14-31/h5-12,17,19H,2-4,13-16,18,28H2,1H3,(H,29,30)
InChIKeyWJGAXJYNDRNQLX-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.89
Rot. Bonds7

About 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine

5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine (PubChem CID 66766090) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
PubChem CID66766090
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
SMILESCC(N)CCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12
InChIInChI=1S/C27H32N4O/c1-19(28)3-2-4-23-10-11-24-25-17-22(9-12-26(25)30-27(24)29-23)21-7-5-20(6-8-21)18-31-13-15-32-16-14-31/h5-12,17,19H,2-4,13-16,18,28H2,1H3,(H,29,30)
InChIKeyWJGAXJYNDRNQLX-UHFFFAOYSA-N
XLogP4.89
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine with MolForge

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Related Compounds

4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
CID 87554292
N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
CID 66766243
6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole
CID 68762162
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
N-hydroxy-2-[8-[4-(morpholin-4-ylmethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1,2-dihydropyrimidine-5-carboxamide
CID 143281028
4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine
CID 151018513
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline
CID 122184692
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 85331374
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
N-[(1R)-1-(4-chlorophenyl)ethyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69181764
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine?
The IUPAC name of 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine (CID 66766090) is 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine.
What is the SMILES notation for 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine?
The canonical SMILES for 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine is CC(N)CCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12.
What is the InChIKey of 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine?
The InChIKey is WJGAXJYNDRNQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-19(28)3-2-4-23-10-11-24-25-17-22(9-12-26(25)30-27(24)29-23)21-7-5-20(6-8-21)18-31-13-15-32-16-14-31/h5-12,17,19H,2-4,13-16,18,28H2,1H3,(H,29,30).
What are the key properties of 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine?
5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine has a molecular weight of 428.58 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine is sourced from PubChem (CID 66766090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).