2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C28H30N6O3 — CID 66605190

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN1CCN(c2ccc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)cc2)CC1
InChIInChI=1S/C28H30N6O3/c1-32-8-10-33(11-9-32)20-5-2-18(3-6-20)23-17-22(27(29)35)26-25(30-23)21-7-4-19(16-24(21)31-26)28(36)34-12-14-37-15-13-34/h2-7,16-17,31H,8-15H2,1H3,(H2,29,35)
InChIKeyGYYNOUILDJTXFX-UHFFFAOYSA-N
MW498.59 g/mol
LogP2.71
Rot. Bonds4

About 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605190) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605190
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN1CCN(c2ccc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)cc2)CC1
InChIInChI=1S/C28H30N6O3/c1-32-8-10-33(11-9-32)20-5-2-18(3-6-20)23-17-22(27(29)35)26-25(30-23)21-7-4-19(16-24(21)31-26)28(36)34-12-14-37-15-13-34/h2-7,16-17,31H,8-15H2,1H3,(H2,29,35)
InChIKeyGYYNOUILDJTXFX-UHFFFAOYSA-N
XLogP2.71
TPSA107.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide with MolForge

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Related Compounds

3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxamide
CID 135559056
N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
CID 135559057
3-(Indol-2-yl)indazole 10
CID 135559058
(4-isopropylpiperazin-1-yl)(3-(morpholinomethyl)-1H-indol-6-yl)methanone
CID 24783527
8-methyl-3-[3-(morpholin-4-yl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 658903
N-[2-(dimethylamino)ethyl]-10H-indolo[3,2-b]quinoline-4-carboxamide
CID 10758977
4-(3-amino-2-methylphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 46833813
4-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 46833814
1-[4-[4-[4-[2-[2-[(dimethylamino)methyl]-3-methyl-1H-indol-5-yl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 46898085
1-[4-[4-[4-[2-(2,3-dimethyl-1H-indol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798375
1-[4-[4-[4-[2-(3-ethyl-2-methyl-1H-indol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798377
1-[4-[4-[4-[2-(2-methyl-1H-indol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798383

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605190) is 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is CN1CCN(c2ccc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is GYYNOUILDJTXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-32-8-10-33(11-9-32)20-5-2-18(3-6-20)23-17-22(27(29)35)26-25(30-23)21-7-4-19(16-24(21)31-26)28(36)34-12-14-37-15-13-34/h2-7,16-17,31H,8-15H2,1H3,(H2,29,35).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).