(14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene

C21H22N4 — CID 95792936

IUPAC(14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene
SMILESc1cncc([C@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)c1
InChIInChI=1S/C21H22N4/c1-2-6-18-16(5-1)17-7-11-25-20(15-4-3-10-22-14-15)24-12-8-21(25,9-13-24)19(17)23-18/h1-6,10,14,20,23H,7-9,11-13H2/t20-/m0/s1
InChIKeyWENMUUODWHWSCP-FQEVSTJZSA-N
MW330.43 g/mol
LogP3.42
Rot. Bonds1

About (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene

(14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene (PubChem CID 95792936) has the molecular formula C21H22N4 and a molecular weight of 330.43 g/mol. Its IUPAC name is (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name(14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene
PubChem CID95792936
Molecular FormulaC21H22N4
Molecular Weight330.43 g/mol
Exact Mass330.18
IUPAC Name(14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene
SMILESc1cncc([C@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)c1
InChIInChI=1S/C21H22N4/c1-2-6-18-16(5-1)17-7-11-25-20(15-4-3-10-22-14-15)24-12-8-21(25,9-13-24)19(17)23-18/h1-6,10,14,20,23H,7-9,11-13H2/t20-/m0/s1
InChIKeyWENMUUODWHWSCP-FQEVSTJZSA-N
XLogP3.42
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene with MolForge

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Related Compounds

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3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 159829847
2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-thiane]
CID 10468482
2-phenoxy-1-[(1S)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 92730510
2-phenoxy-1-[(1R)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 92730511
[(1R)-1-(3-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-pyridin-3-ylmethanone
CID 42383850
2-pyridin-3-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3725718
(3S,12bS)-3,12b-dimethyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizine
CID 800127
3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraen-14-ylidenecyanamide
CID 10062877
3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
CID 45098939
(1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92734670
(1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92734660

Frequently Asked Questions

What is the IUPAC name of (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene?
The IUPAC name of (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene (CID 95792936) is (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene.
What is the SMILES notation for (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene?
The canonical SMILES for (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene is c1cncc([C@H]2N3CCC4(CC3)c3[nH]c5ccccc5c3CCN24)c1.
What is the InChIKey of (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene?
The InChIKey is WENMUUODWHWSCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-6-18-16(5-1)17-7-11-25-20(15-4-3-10-22-14-15)24-12-8-21(25,9-13-24)19(17)23-18/h1-6,10,14,20,23H,7-9,11-13H2/t20-/m0/s1.
What are the key properties of (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene?
(14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene has a molecular weight of 330.43 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-14-pyridin-3-yl-3,13,15-triazapentacyclo[13.2.2.01,13.02,10.04,9]nonadeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 95792936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).