(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide

C26H24ClN5O3 — CID 42613066

IUPAC(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CN3CCOC[C@H]3C(=O)Nc3cc(Cl)cc4c3[nH]c3cnccc34)c2c1
InChIInChI=1S/C26H24ClN5O3/c1-34-17-2-3-21-19(10-17)15(11-29-21)13-32-6-7-35-14-24(32)26(33)31-22-9-16(27)8-20-18-4-5-28-12-23(18)30-25(20)22/h2-5,8-12,24,29-30H,6-7,13-14H2,1H3,(H,31,33)/t24-/m0/s1
InChIKeyFOTPQHJQVNODIW-DEOSSOPVSA-N
MW489.96 g/mol
LogP4.70
Rot. Bonds5

About (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide (PubChem CID 42613066) has the molecular formula C26H24ClN5O3 and a molecular weight of 489.96 g/mol. Its IUPAC name is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide
PubChem CID42613066
Molecular FormulaC26H24ClN5O3
Molecular Weight489.96 g/mol
Exact Mass489.16
IUPAC Name(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CN3CCOC[C@H]3C(=O)Nc3cc(Cl)cc4c3[nH]c3cnccc34)c2c1
InChIInChI=1S/C26H24ClN5O3/c1-34-17-2-3-21-19(10-17)15(11-29-21)13-32-6-7-35-14-24(32)26(33)31-22-9-16(27)8-20-18-4-5-28-12-23(18)30-25(20)22/h2-5,8-12,24,29-30H,6-7,13-14H2,1H3,(H,31,33)/t24-/m0/s1
InChIKeyFOTPQHJQVNODIW-DEOSSOPVSA-N
XLogP4.70
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide
CID 11605463
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 11627804
(3S)-4-(2-acetamidopropyl)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 91597504
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 72630383
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[[(5Z)-5-ethylidene-1,4-dihydroimidazol-2-yl]methyl]-6,6-dimethylmorpholine-3-carboxamide
CID 71012253
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 67167903
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 68916879
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(2R)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-3-carboxamide
CID 11642221
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide
CID 143136987
(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide
CID 11772262
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 21362716
(3S)-N-(6-iodo-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-propylmorpholine-3-carboxamide
CID 70883985

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide (CID 42613066) is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide is COc1ccc2[nH]cc(CN3CCOC[C@H]3C(=O)Nc3cc(Cl)cc4c3[nH]c3cnccc34)c2c1.
What is the InChIKey of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide?
The InChIKey is FOTPQHJQVNODIW-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24ClN5O3/c1-34-17-2-3-21-19(10-17)15(11-29-21)13-32-6-7-35-14-24(32)26(33)31-22-9-16(27)8-20-18-4-5-28-12-23(18)30-25(20)22/h2-5,8-12,24,29-30H,6-7,13-14H2,1H3,(H,31,33)/t24-/m0/s1.
What are the key properties of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide?
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[(5-methoxy-1H-indol-3-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 42613066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).