4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene

C18H15N7S — CID 19499897

IUPAC4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
SMILESCc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cc(C4CC4)[nH]n3)nc12
InChIInChI=1S/C18H15N7S/c1-8-5-9(2)20-18-13(8)14-15(26-18)17-21-16(24-25(17)7-19-14)12-6-11(22-23-12)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,22,23)
InChIKeyOOZXOOVWHFFWNT-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.77
Rot. Bonds2

About 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene

4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene (PubChem CID 19499897) has the molecular formula C18H15N7S and a molecular weight of 361.43 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
PubChem CID19499897
Molecular FormulaC18H15N7S
Molecular Weight361.43 g/mol
Exact Mass361.11
IUPAC Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
SMILESCc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cc(C4CC4)[nH]n3)nc12
InChIInChI=1S/C18H15N7S/c1-8-5-9(2)20-18-13(8)14-15(26-18)17-21-16(24-25(17)7-19-14)12-6-11(22-23-12)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,22,23)
InChIKeyOOZXOOVWHFFWNT-UHFFFAOYSA-N
XLogP3.77
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene with MolForge

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Related Compounds

13-(difluoromethyl)-11-methyl-4-(5-methyl-1H-pyrazol-3-yl)-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19589968
4-(4-bromo-1,5-dimethylpyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 17026209
3-(11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaen-4-yl)-5-(furan-2-yl)-1,2-oxazole
CID 19500022
4-(3-methoxyphenyl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19499882
methyl 4-(5-cyclopropyl-1H-pyrazol-3-yl)-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334906
4-[5-(2,4-dimethylphenyl)pyrazolidin-3-yl]-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 75157844
4-[3-[(2,5-dimethylphenoxy)methyl]phenyl]-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19499919
4-[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 135984066
4-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19589134
4-[1-[3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19590153
2-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidin-4-amine
CID 154337577
4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-11-methyl-13-(trifluoromethyl)-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19499821

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene?
The IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene (CID 19499897) is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene.
What is the SMILES notation for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene?
The canonical SMILES for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene is Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cc(C4CC4)[nH]n3)nc12.
What is the InChIKey of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene?
The InChIKey is OOZXOOVWHFFWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7S/c1-8-5-9(2)20-18-13(8)14-15(26-18)17-21-16(24-25(17)7-19-14)12-6-11(22-23-12)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene?
4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene has a molecular weight of 361.43 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-11,13-dimethyl-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene is sourced from PubChem (CID 19499897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).