(18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine

C20H24N8OS — CID 133083914

IUPAC(18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine
SMILESCC1(C)Cc2c(c(N3CCCCC3)nc3sc4c(nc(NN)n5ncnc45)c23)CO1
InChIInChI=1S/C20H24N8OS/c1-20(2)8-11-12(9-29-20)16(27-6-4-3-5-7-27)25-18-13(11)14-15(30-18)17-22-10-23-28(17)19(24-14)26-21/h10H,3-9,21H2,1-2H3,(H,24,26)
InChIKeyNIVRYEDEQJUTPF-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.01
Rot. Bonds2

About (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine

(18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine (PubChem CID 133083914) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine.

Molecular Properties

Compound Name(18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine
PubChem CID133083914
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC Name(18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine
SMILESCC1(C)Cc2c(c(N3CCCCC3)nc3sc4c(nc(NN)n5ncnc45)c23)CO1
InChIInChI=1S/C20H24N8OS/c1-20(2)8-11-12(9-29-20)16(27-6-4-3-5-7-27)25-18-13(11)14-15(30-18)17-22-10-23-28(17)19(24-14)26-21/h10H,3-9,21H2,1-2H3,(H,24,26)
InChIKeyNIVRYEDEQJUTPF-UHFFFAOYSA-N
XLogP3.01
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine?
The IUPAC name of (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine (CID 133083914) is (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine.
What is the SMILES notation for (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine?
The canonical SMILES for (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine is CC1(C)Cc2c(c(N3CCCCC3)nc3sc4c(nc(NN)n5ncnc45)c23)CO1.
What is the InChIKey of (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine?
The InChIKey is NIVRYEDEQJUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS/c1-20(2)8-11-12(9-29-20)16(27-6-4-3-5-7-27)25-18-13(11)14-15(30-18)17-22-10-23-28(17)19(24-14)26-21/h10H,3-9,21H2,1-2H3,(H,24,26).
What are the key properties of (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine?
(18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine has a molecular weight of 424.53 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (18,18-dimethyl-14-piperidin-1-yl-17-oxa-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-4-yl)hydrazine is sourced from PubChem (CID 133083914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).