10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene

C37H24N4S — CID 144960387

IUPAC10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene
SMILESC1=CC2c3cc4c(cc3N(c3ccccc3)C2C=C1)c1c2ccccc2sc1n4-c1cc2cc3ccccc3cn2n1
InChIInChI=1S/C37H24N4S/c1-2-12-25(13-3-1)40-31-16-8-6-14-27(31)29-20-33-30(21-32(29)40)36-28-15-7-9-17-34(28)42-37(36)41(33)35-19-26-18-23-10-4-5-11-24(23)22-39(26)38-35/h1-22,27,31H
InChIKeyJIHVOEIYGBWAJQ-UHFFFAOYSA-N
MW556.69 g/mol
LogP9.53
Rot. Bonds2

About 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene

10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene (PubChem CID 144960387) has the molecular formula C37H24N4S and a molecular weight of 556.69 g/mol. Its IUPAC name is 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene.

Molecular Properties

Compound Name10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene
PubChem CID144960387
Molecular FormulaC37H24N4S
Molecular Weight556.69 g/mol
Exact Mass556.17
IUPAC Name10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene
SMILESC1=CC2c3cc4c(cc3N(c3ccccc3)C2C=C1)c1c2ccccc2sc1n4-c1cc2cc3ccccc3cn2n1
InChIInChI=1S/C37H24N4S/c1-2-12-25(13-3-1)40-31-16-8-6-14-27(31)29-20-33-30(21-32(29)40)36-28-15-7-9-17-34(28)42-37(36)41(33)35-19-26-18-23-10-4-5-11-24(23)22-39(26)38-35/h1-22,27,31H
InChIKeyJIHVOEIYGBWAJQ-UHFFFAOYSA-N
XLogP9.53
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.69
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene with MolForge

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Related Compounds

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CID 59358281
9-(5-carbazol-9-ylthiophen-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
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4-Tert-butyl-3-(8-carbazol-9-yldibenzothiophen-2-yl)-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene
CID 118873696
13-(3-Dibenzothiophen-2-ylcarbazol-9-yl)-1,5,6-triazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene
CID 118873731
2-(9,14-Diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-[1]benzothiolo[2,3-d]pyrimidine
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9-Dibenzothiophen-2-yl-14-phenyl-6-quinazolin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122599824
23-Pyrazolo[1,5-a]quinolin-2-yl-10,15-dithia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
CID 129040176
23-Pyrazolo[1,5-a]quinolin-2-yl-10,21-dithia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
CID 129040179
10-Phenyl-23-pyrazolo[1,5-a]quinolin-2-yl-15-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
CID 129040181
10,10-Dimethyl-23-pyrazolo[1,5-a]quinolin-2-yl-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),4,6,8,12,14(22),15,17,19-decaene
CID 129040182
10,10-Diphenyl-23-pyrazolo[1,5-a]quinolin-2-yl-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),4,6,8,12,14(22),15,17,19-decaene
CID 129040183

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene?
The IUPAC name of 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene (CID 144960387) is 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene.
What is the SMILES notation for 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene?
The canonical SMILES for 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene is C1=CC2c3cc4c(cc3N(c3ccccc3)C2C=C1)c1c2ccccc2sc1n4-c1cc2cc3ccccc3cn2n1.
What is the InChIKey of 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene?
The InChIKey is JIHVOEIYGBWAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4S/c1-2-12-25(13-3-1)40-31-16-8-6-14-27(31)29-20-33-30(21-32(29)40)36-28-15-7-9-17-34(28)42-37(36)41(33)35-19-26-18-23-10-4-5-11-24(23)22-39(26)38-35/h1-22,27,31H.
What are the key properties of 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene?
10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene has a molecular weight of 556.69 g/mol, XLogP of 9.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-23-pyrazolo[1,5-b]isoquinolin-2-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1,3(11),5,7,12,14(22),15,17,19-nonaene is sourced from PubChem (CID 144960387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).