(6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one

C19H21N7O — CID 142589519

IUPAC(6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
SMILESCC1CCc2ncncc2[C@H]2CCCN2c2ccc3ncc(n3n2)C(=O)N1
InChIInChI=1S/C19H21N7O/c1-12-4-5-14-13(9-20-11-22-14)15-3-2-8-25(15)18-7-6-17-21-10-16(19(27)23-12)26(17)24-18/h6-7,9-12,15H,2-5,8H2,1H3,(H,23,27)/t12?,15-/m1/s1
InChIKeyVMAUCUBWJOQIGK-WPZCJLIBSA-N
MW363.43 g/mol
LogP1.93
Rot. Bonds

About (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one

(6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one (PubChem CID 142589519) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one.

Molecular Properties

Compound Name(6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
PubChem CID142589519
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name(6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one
SMILESCC1CCc2ncncc2[C@H]2CCCN2c2ccc3ncc(n3n2)C(=O)N1
InChIInChI=1S/C19H21N7O/c1-12-4-5-14-13(9-20-11-22-14)15-3-2-8-25(15)18-7-6-17-21-10-16(19(27)23-12)26(17)24-18/h6-7,9-12,15H,2-5,8H2,1H3,(H,23,27)/t12?,15-/m1/s1
InChIKeyVMAUCUBWJOQIGK-WPZCJLIBSA-N
XLogP1.93
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one?
The IUPAC name of (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one (CID 142589519) is (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one.
What is the SMILES notation for (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one?
The canonical SMILES for (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one is CC1CCc2ncncc2[C@H]2CCCN2c2ccc3ncc(n3n2)C(=O)N1.
What is the InChIKey of (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one?
The InChIKey is VMAUCUBWJOQIGK-WPZCJLIBSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12-4-5-14-13(9-20-11-22-14)15-3-2-8-25(15)18-7-6-17-21-10-16(19(27)23-12)26(17)24-18/h6-7,9-12,15H,2-5,8H2,1H3,(H,23,27)/t12?,15-/m1/s1.
What are the key properties of (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one?
(6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one has a molecular weight of 363.43 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-15-methyl-2,9,11,16,20,24,25-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18,20,22-heptaen-17-one is sourced from PubChem (CID 142589519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).