4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine

C19H18ClN7O — CID 137294013

IUPAC4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine
SMILESCc1[nH]nc2c1N=C(c1ccncc1Cl)c1cnc(N3CCOCC3)cc1N2
InChIInChI=1S/C19H18ClN7O/c1-11-17-19(26-25-11)23-15-8-16(27-4-6-28-7-5-27)22-9-13(15)18(24-17)12-2-3-21-10-14(12)20/h2-3,8-10H,4-7H2,1H3,(H2,23,25,26)
InChIKeyOKFDMELOKMTFDP-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.22
Rot. Bonds2

About 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine

4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine (PubChem CID 137294013) has the molecular formula C19H18ClN7O and a molecular weight of 395.85 g/mol. Its IUPAC name is 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine.

Molecular Properties

Compound Name4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine
PubChem CID137294013
Molecular FormulaC19H18ClN7O
Molecular Weight395.85 g/mol
Exact Mass395.13
IUPAC Name4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine
SMILESCc1[nH]nc2c1N=C(c1ccncc1Cl)c1cnc(N3CCOCC3)cc1N2
InChIInChI=1S/C19H18ClN7O/c1-11-17-19(26-25-11)23-15-8-16(27-4-6-28-7-5-27)22-9-13(15)18(24-17)12-2-3-21-10-14(12)20/h2-3,8-10H,4-7H2,1H3,(H2,23,25,26)
InChIKeyOKFDMELOKMTFDP-UHFFFAOYSA-N
XLogP3.22
TPSA91.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine with MolForge

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Related Compounds

9-(3-chloro-4-pyridinyl)-13-ethyl-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3,6,8,11,13-hexaene
CID 137294023
5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135414401
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 143313537
4-[5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-4-methyl-2-pyridinyl]morpholine
CID 86268999
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
5-(2-chlorophenyl)-8-[2-[2-methoxyethyl(methyl)amino]ethoxy]-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine-7-carbonitrile
CID 135475961
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69173570
4-[4-(4-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]morpholine
CID 174958810
4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 74250778
4-[5-(2,6-dimethyl-8-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine
CID 67461598

Frequently Asked Questions

What is the IUPAC name of 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine?
The IUPAC name of 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine (CID 137294013) is 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine.
What is the SMILES notation for 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine?
The canonical SMILES for 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine is Cc1[nH]nc2c1N=C(c1ccncc1Cl)c1cnc(N3CCOCC3)cc1N2.
What is the InChIKey of 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine?
The InChIKey is OKFDMELOKMTFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O/c1-11-17-19(26-25-11)23-15-8-16(27-4-6-28-7-5-27)22-9-13(15)18(24-17)12-2-3-21-10-14(12)20/h2-3,8-10H,4-7H2,1H3,(H2,23,25,26).
What are the key properties of 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine?
4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine has a molecular weight of 395.85 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine is sourced from PubChem (CID 137294013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).