14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene

C23H19N3 — CID 171919672

IUPAC14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene
SMILESc1ccc2c(c1)CN1CCCC3=C(c4cncnc4)c4ccccc4C321
InChIInChI=1S/C23H19N3/c1-3-8-19-16(6-1)14-26-11-5-10-21-22(17-12-24-15-25-13-17)18-7-2-4-9-20(18)23(19,21)26/h1-4,6-9,12-13,15H,5,10-11,14H2
InChIKeyCZIFVPCANBZQLX-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.15
Rot. Bonds1

About 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene

14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene (PubChem CID 171919672) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene.

Molecular Properties

Compound Name14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene
PubChem CID171919672
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene
SMILESc1ccc2c(c1)CN1CCCC3=C(c4cncnc4)c4ccccc4C321
InChIInChI=1S/C23H19N3/c1-3-8-19-16(6-1)14-26-11-5-10-21-22(17-12-24-15-25-13-17)18-7-2-4-9-20(18)23(19,21)26/h1-4,6-9,12-13,15H,5,10-11,14H2
InChIKeyCZIFVPCANBZQLX-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene?
The IUPAC name of 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene (CID 171919672) is 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene.
What is the SMILES notation for 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene?
The canonical SMILES for 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene is c1ccc2c(c1)CN1CCCC3=C(c4cncnc4)c4ccccc4C321.
What is the InChIKey of 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene?
The InChIKey is CZIFVPCANBZQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-3-8-19-16(6-1)14-26-11-5-10-21-22(17-12-24-15-25-13-17)18-7-2-4-9-20(18)23(19,21)26/h1-4,6-9,12-13,15H,5,10-11,14H2.
What are the key properties of 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene?
14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene has a molecular weight of 337.43 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene is sourced from PubChem (CID 171919672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).