13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene

C21H20ClN5 — CID 162655579

IUPAC13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene
SMILESClc1ccc2c(c1)C1CC1c1nnc(C3CCN(c4ccccn4)CC3)n1-2
InChIInChI=1S/C21H20ClN5/c22-14-4-5-18-16(11-14)15-12-17(15)21-25-24-20(27(18)21)13-6-9-26(10-7-13)19-3-1-2-8-23-19/h1-5,8,11,13,15,17H,6-7,9-10,12H2
InChIKeyVVELHSVKGJFPBX-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.28
Rot. Bonds2

About 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene

13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene (PubChem CID 162655579) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene.

Molecular Properties

Compound Name13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene
PubChem CID162655579
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene
SMILESClc1ccc2c(c1)C1CC1c1nnc(C3CCN(c4ccccn4)CC3)n1-2
InChIInChI=1S/C21H20ClN5/c22-14-4-5-18-16(11-14)15-12-17(15)21-25-24-20(27(18)21)13-6-9-26(10-7-13)19-3-1-2-8-23-19/h1-5,8,11,13,15,17H,6-7,9-10,12H2
InChIKeyVVELHSVKGJFPBX-UHFFFAOYSA-N
XLogP4.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene with MolForge

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Related Compounds

PF-184563
CID 11237434
8-Chloro-1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulene-5-sulphonic acid dimethylamide
CID 9935206
1-[8-Chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]ethanone
CID 10345610
8-Chloro-5-methanesulfonyl-1-(3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-yl)-5,6-dihydro-4h-2,3,5,10b-tetraaza-benzo[e]azulene
CID 10456892
2-[4-[4-[(3-Chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10474163
8-Chloro-1-(3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-yl)-5,6-dihydro4h-2,3,5,10b-tetraaza-benzo[e]azulene
CID 11326488
2-[4-[4-(4-Chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11451056
Methyl 8-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-5-carboxylate
CID 56672570
8-Chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459640
9-Chloro-1-methyl-7-[4-(trifluoromethyl)pyridin-3-yl]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 66576848
9-Chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 66576852
1-Cyclopropyl-7-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 89961848

Frequently Asked Questions

What is the IUPAC name of 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene?
The IUPAC name of 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene (CID 162655579) is 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene.
What is the SMILES notation for 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene?
The canonical SMILES for 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene is Clc1ccc2c(c1)C1CC1c1nnc(C3CCN(c4ccccn4)CC3)n1-2.
What is the InChIKey of 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene?
The InChIKey is VVELHSVKGJFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c22-14-4-5-18-16(11-14)15-12-17(15)21-25-24-20(27(18)21)13-6-9-26(10-7-13)19-3-1-2-8-23-19/h1-5,8,11,13,15,17H,6-7,9-10,12H2.
What are the key properties of 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene?
13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene has a molecular weight of 377.88 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene is sourced from PubChem (CID 162655579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).