4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

C18H19N5O — CID 70766706

IUPAC4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
SMILESO=C(C1NCCc2[nH]cnc21)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C18H19N5O/c24-18(17-16-14(5-7-19-17)20-10-21-16)23-8-6-12-11-3-1-2-4-13(11)22-15(12)9-23/h1-4,10,17,19,22H,5-9H2,(H,20,21)
InChIKeyKZXYCJNCMDYVBA-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.66
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone (PubChem CID 70766706) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
PubChem CID70766706
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
SMILESO=C(C1NCCc2[nH]cnc21)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C18H19N5O/c24-18(17-16-14(5-7-19-17)20-10-21-16)23-8-6-12-11-3-1-2-4-13(11)22-15(12)9-23/h1-4,10,17,19,22H,5-9H2,(H,20,21)
InChIKeyKZXYCJNCMDYVBA-UHFFFAOYSA-N
XLogP1.66
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-benzimidazol-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 141151589
1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95896875
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95896211
[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride
CID 154894348
(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95881021
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone
CID 70751373
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
3-phenoxy-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 110867183
5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 127675377
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl)methanone
CID 74236163
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 46997789

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The IUPAC name of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone (CID 70766706) is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone is O=C(C1NCCc2[nH]cnc21)N1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The InChIKey is KZXYCJNCMDYVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(17-16-14(5-7-19-17)20-10-21-16)23-8-6-12-11-3-1-2-4-13(11)22-15(12)9-23/h1-4,10,17,19,22H,5-9H2,(H,20,21).
What are the key properties of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone is sourced from PubChem (CID 70766706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).