CID 92595275

C24H28ClN5O — CID 92595275

IUPAC—
SMILESCc1c(CN2CCC3(CC2)C[C@]2(CO3)Nc3cc(Cl)ccc3-n3cccc32)cnn1C
InChIInChI=1S/C24H28ClN5O/c1-17-18(13-26-28(17)2)14-29-10-7-23(8-11-29)15-24(16-31-23)22-4-3-9-30(22)21-6-5-19(25)12-20(21)27-24/h3-6,9,12-13,27H,7-8,10-11,14-16H2,1-2H3/t24-/m1/s1
InChIKeyRSVVZICWGFWXNP-XMMPIXPASA-N
MW437.98 g/mol
LogP4.25
Rot. Bonds2

About CID 92595275

CID 92595275 (PubChem CID 92595275) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol.

Molecular Properties

Compound NameCID 92595275
PubChem CID92595275
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name—
SMILESCc1c(CN2CCC3(CC2)C[C@]2(CO3)Nc3cc(Cl)ccc3-n3cccc32)cnn1C
InChIInChI=1S/C24H28ClN5O/c1-17-18(13-26-28(17)2)14-29-10-7-23(8-11-29)15-24(16-31-23)22-4-3-9-30(22)21-6-5-19(25)12-20(21)27-24/h3-6,9,12-13,27H,7-8,10-11,14-16H2,1-2H3/t24-/m1/s1
InChIKeyRSVVZICWGFWXNP-XMMPIXPASA-N
XLogP4.25
TPSA47.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 92595275 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 92595275?
The IUPAC name of CID 92595275 (CID 92595275) is not available.
What is the SMILES notation for CID 92595275?
The canonical SMILES for CID 92595275 is Cc1c(CN2CCC3(CC2)C[C@]2(CO3)Nc3cc(Cl)ccc3-n3cccc32)cnn1C.
What is the InChIKey of CID 92595275?
The InChIKey is RSVVZICWGFWXNP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-17-18(13-26-28(17)2)14-29-10-7-23(8-11-29)15-24(16-31-23)22-4-3-9-30(22)21-6-5-19(25)12-20(21)27-24/h3-6,9,12-13,27H,7-8,10-11,14-16H2,1-2H3/t24-/m1/s1.
What are the key properties of CID 92595275?
CID 92595275 has a molecular weight of 437.98 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 92595275 is sourced from PubChem (CID 92595275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).