4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene

C16H23N5 — CID 175986880

IUPAC4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene
SMILESCN1CC2C3CCC(CN2c2c1cnc1c2CCNC1)N3
InChIInChI=1S/C16H23N5/c1-20-9-15-12-3-2-10(19-12)8-21(15)16-11-4-5-17-6-13(11)18-7-14(16)20/h7,10,12,15,17,19H,2-6,8-9H2,1H3
InChIKeyPZSVWQRKLUMRLG-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.49
Rot. Bonds

About 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene

4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene (PubChem CID 175986880) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene.

Molecular Properties

Compound Name4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene
PubChem CID175986880
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene
SMILESCN1CC2C3CCC(CN2c2c1cnc1c2CCNC1)N3
InChIInChI=1S/C16H23N5/c1-20-9-15-12-3-2-10(19-12)8-21(15)16-11-4-5-17-6-13(11)18-7-14(16)20/h7,10,12,15,17,19H,2-6,8-9H2,1H3
InChIKeyPZSVWQRKLUMRLG-UHFFFAOYSA-N
XLogP0.49
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one
CID 172728015
3-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483907
N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 95144552
4-[3-(3-chlorophenyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56757156
4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 83850035
3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83670995
2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115030908
2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 172720249
2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)cyclohexan-1-ol
CID 64854188
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
CID 103483635
N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 146447998
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-6-ol
CID 115015229

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene?
The IUPAC name of 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene (CID 175986880) is 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene.
What is the SMILES notation for 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene?
The canonical SMILES for 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene is CN1CC2C3CCC(CN2c2c1cnc1c2CCNC1)N3.
What is the InChIKey of 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene?
The InChIKey is PZSVWQRKLUMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-20-9-15-12-3-2-10(19-12)8-21(15)16-11-4-5-17-6-13(11)18-7-14(16)20/h7,10,12,15,17,19H,2-6,8-9H2,1H3.
What are the key properties of 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene?
4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene has a molecular weight of 285.39 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene is sourced from PubChem (CID 175986880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).