14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene

C20H19ClN8O2 — CID 171084844

IUPAC14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
SMILESCc1c2c(nn1-c1cccnc1OC1CC1)OCCCn1nc(Cl)c3cnc(nc31)N2
InChIInChI=1S/C20H19ClN8O2/c1-11-15-19(27-29(11)14-4-2-7-22-18(14)31-12-5-6-12)30-9-3-8-28-17-13(16(21)26-28)10-23-20(24-15)25-17/h2,4,7,10,12H,3,5-6,8-9H2,1H3,(H,23,24,25)
InChIKeyCQQPQDNUPFVXLO-UHFFFAOYSA-N
MW438.88 g/mol
LogP3.44
Rot. Bonds3

About 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene

14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene (PubChem CID 171084844) has the molecular formula C20H19ClN8O2 and a molecular weight of 438.88 g/mol. Its IUPAC name is 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene.

Molecular Properties

Compound Name14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
PubChem CID171084844
Molecular FormulaC20H19ClN8O2
Molecular Weight438.88 g/mol
Exact Mass438.13
IUPAC Name14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
SMILESCc1c2c(nn1-c1cccnc1OC1CC1)OCCCn1nc(Cl)c3cnc(nc31)N2
InChIInChI=1S/C20H19ClN8O2/c1-11-15-19(27-29(11)14-4-2-7-22-18(14)31-12-5-6-12)30-9-3-8-28-17-13(16(21)26-28)10-23-20(24-15)25-17/h2,4,7,10,12H,3,5-6,8-9H2,1H3,(H,23,24,25)
InChIKeyCQQPQDNUPFVXLO-UHFFFAOYSA-N
XLogP3.44
TPSA104.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene with MolForge

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Related Compounds

14-chloro-5-[(3R,4S)-3-fluorooxan-4-yl]-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 169284154
14-chloro-5-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 169284165
14-chloro-4-methyl-5-[(7R)-4-oxaspiro[2.5]octan-7-yl]-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 169284157
14-chloro-4-cyclopropyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 168735028
5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen
CID 171084807
5-(4-ethoxybutan-2-yl)-4-methyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 170114954
14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 137418618
14-chloro-5-[(4R)-3,3-difluorooxan-4-yl]-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 155649502
14-chloro-4-methyl-5-[1-(oxan-4-yl)ethyl]-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;einsteinium
CID 142515107
14-chloro-10-(difluoromethoxy)-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 155397880
14-chloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 137418564
4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 142515128

Frequently Asked Questions

What is the IUPAC name of 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene?
The IUPAC name of 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene (CID 171084844) is 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene.
What is the SMILES notation for 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene?
The canonical SMILES for 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene is Cc1c2c(nn1-c1cccnc1OC1CC1)OCCCn1nc(Cl)c3cnc(nc31)N2.
What is the InChIKey of 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene?
The InChIKey is CQQPQDNUPFVXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8O2/c1-11-15-19(27-29(11)14-4-2-7-22-18(14)31-12-5-6-12)30-9-3-8-28-17-13(16(21)26-28)10-23-20(24-15)25-17/h2,4,7,10,12H,3,5-6,8-9H2,1H3,(H,23,24,25).
What are the key properties of 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene?
14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene has a molecular weight of 438.88 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-5-(2-cyclopropyloxy-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene is sourced from PubChem (CID 171084844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).