3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C26H22N4O2 — CID 43817822

IUPAC3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C(=O)N3CC4C5c6ccccc6C(c6ccccc65)C4C3)c2n1
InChIInChI=1S/C26H22N4O2/c1-14-10-22(31)30-25(28-14)19(11-27-30)26(32)29-12-20-21(13-29)24-16-7-3-2-6-15(16)23(20)17-8-4-5-9-18(17)24/h2-11,20-21,23-24,27H,12-13H2,1H3
InChIKeyWSZJSSWEPSBOFT-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.31
Rot. Bonds1

About 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 43817822) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID43817822
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C(=O)N3CC4C5c6ccccc6C(c6ccccc65)C4C3)c2n1
InChIInChI=1S/C26H22N4O2/c1-14-10-22(31)30-25(28-14)19(11-27-30)26(32)29-12-20-21(13-29)24-16-7-3-2-6-15(16)23(20)17-8-4-5-9-18(17)24/h2-11,20-21,23-24,27H,12-13H2,1H3
InChIKeyWSZJSSWEPSBOFT-UHFFFAOYSA-N
XLogP3.31
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 43817822) is 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]cc(C(=O)N3CC4C5c6ccccc6C(c6ccccc65)C4C3)c2n1.
What is the InChIKey of 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WSZJSSWEPSBOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-14-10-22(31)30-25(28-14)19(11-27-30)26(32)29-12-20-21(13-29)24-16-7-3-2-6-15(16)23(20)17-8-4-5-9-18(17)24/h2-11,20-21,23-24,27H,12-13H2,1H3.
What are the key properties of 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 422.49 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-17-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 43817822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).