(11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one

C17H23N5O — CID 18659387

IUPAC(11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one
SMILESCc1nc2c(n1C1CCCC1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12
InChIInChI=1S/C17H23N5O/c1-10-18-15-14(21(10)11-6-3-4-7-11)16(23)20(2)17-19-12-8-5-9-13(12)22(15)17/h11-13H,3-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyXYFNNRCDAGOOJH-OLZOCXBDSA-N
MW313.41 g/mol
LogP2.49
Rot. Bonds1

About (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one

(11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one (PubChem CID 18659387) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one.

Molecular Properties

Compound Name(11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one
PubChem CID18659387
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name(11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one
SMILESCc1nc2c(n1C1CCCC1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12
InChIInChI=1S/C17H23N5O/c1-10-18-15-14(21(10)11-6-3-4-7-11)16(23)20(2)17-19-12-8-5-9-13(12)22(15)17/h11-13H,3-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyXYFNNRCDAGOOJH-OLZOCXBDSA-N
XLogP2.49
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one?
The IUPAC name of (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one (CID 18659387) is (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one.
What is the SMILES notation for (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one?
The canonical SMILES for (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one is Cc1nc2c(n1C1CCCC1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12.
What is the InChIKey of (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one?
The InChIKey is XYFNNRCDAGOOJH-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23N5O/c1-10-18-15-14(21(10)11-6-3-4-7-11)16(23)20(2)17-19-12-8-5-9-13(12)22(15)17/h11-13H,3-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one?
(11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one has a molecular weight of 313.41 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15S)-5-cyclopentyl-4,8-dimethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one is sourced from PubChem (CID 18659387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).