(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

C20H17ClN4O2 — CID 70741965

IUPAC(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C20H17ClN4O2/c21-13-1-3-17-15(9-13)16-11-25(7-5-18(16)23-17)20(26)19-4-2-14(27-19)10-24-8-6-22-12-24/h1-4,6,8-9,12,23H,5,7,10-11H2
InChIKeyKGEIUXOSNSTLHX-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.86
Rot. Bonds3

About (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (PubChem CID 70741965) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
PubChem CID70741965
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C20H17ClN4O2/c21-13-1-3-17-15(9-13)16-11-25(7-5-18(16)23-17)20(26)19-4-2-14(27-19)10-24-8-6-22-12-24/h1-4,6,8-9,12,23H,5,7,10-11H2
InChIKeyKGEIUXOSNSTLHX-UHFFFAOYSA-N
XLogP3.86
TPSA67.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-5-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)furan-2-sulfonamide
CID 55931313
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 87036837
methyl 8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 113089288
(5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 32849945
1-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-pyrazol-1-ylbutan-1-one
CID 70731465
8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 87037959
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 56889727
9-chloro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole-2-carboxylic acid
CID 90294086
3-[2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-oxoethyl]quinazolin-4-one
CID 55849520
8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 87038374
1-(9-chloro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indol-2-yl)ethanone
CID 67357282
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2R)-oxolan-2-yl]methanone
CID 29134715

Frequently Asked Questions

What is the IUPAC name of (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (CID 70741965) is (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is O=C(c1ccc(Cn2ccnc2)o1)N1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is KGEIUXOSNSTLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-13-1-3-17-15(9-13)16-11-25(7-5-18(16)23-17)20(26)19-4-2-14(27-19)10-24-8-6-22-12-24/h1-4,6,8-9,12,23H,5,7,10-11H2.
What are the key properties of (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 380.84 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 70741965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).