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

C34H23N3S — CID 129040182

IUPAC10,10-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2sc1n3-c1cc2ccc3ccccc3n2n1
InChIInChI=1S/C34H23N3S/c1-34(2)26-12-6-4-10-22(26)24-19-29-25(18-27(24)34)32-23-11-5-8-14-30(23)38-33(32)36(29)31-17-21-16-15-20-9-3-7-13-28(20)37(21)35-31/h3-19H,1-2H3
InChIKeyBPWBALNYOPBPTK-UHFFFAOYSA-N
MW505.65 g/mol
LogP9.11
Rot. Bonds1

About 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

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 (PubChem CID 129040182) has the molecular formula C34H23N3S and a molecular weight of 505.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,10-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
PubChem CID129040182
Molecular FormulaC34H23N3S
Molecular Weight505.65 g/mol
Exact Mass505.16
IUPAC Name10,10-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2sc1n3-c1cc2ccc3ccccc3n2n1
InChIInChI=1S/C34H23N3S/c1-34(2)26-12-6-4-10-22(26)24-19-29-25(18-27(24)34)32-23-11-5-8-14-30(23)38-33(32)36(29)31-17-21-16-15-20-9-3-7-13-28(20)37(21)35-31/h3-19H,1-2H3
InChIKeyBPWBALNYOPBPTK-UHFFFAOYSA-N
XLogP9.11
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.65
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2sc1n3-c1cc2ccc3ccccc3n2n1.
What is the InChIKey of 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?
The InChIKey is BPWBALNYOPBPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3S/c1-34(2)26-12-6-4-10-22(26)24-19-29-25(18-27(24)34)32-23-11-5-8-14-30(23)38-33(32)36(29)31-17-21-16-15-20-9-3-7-13-28(20)37(21)35-31/h3-19H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 505.65 g/mol, XLogP of 9.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129040182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).