CID 58197247

C22H25N5O2 — CID 58197247

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cnccn3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C22H25N5O2/c1-27-19(28)22(26-20(27)23)17-11-14(18-13-24-9-10-25-18)3-4-15(17)12-21(22)7-5-16(29-2)6-8-21/h3-4,9-11,13,16H,5-8,12H2,1-2H3,(H2,23,26)
InChIKeyKAKULGGJWZOCJI-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.26
Rot. Bonds2

About CID 58197247

CID 58197247 (PubChem CID 58197247) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol.

Molecular Properties

Compound NameCID 58197247
PubChem CID58197247
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cnccn3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C22H25N5O2/c1-27-19(28)22(26-20(27)23)17-11-14(18-13-24-9-10-25-18)3-4-15(17)12-21(22)7-5-16(29-2)6-8-21/h3-4,9-11,13,16H,5-8,12H2,1-2H3,(H2,23,26)
InChIKeyKAKULGGJWZOCJI-UHFFFAOYSA-N
XLogP2.26
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58197247?
The IUPAC name of CID 58197247 (CID 58197247) is not available.
What is the SMILES notation for CID 58197247?
The canonical SMILES for CID 58197247 is COC1CCC2(CC1)Cc1ccc(-c3cnccn3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197247?
The InChIKey is KAKULGGJWZOCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27-19(28)22(26-20(27)23)17-11-14(18-13-24-9-10-25-18)3-4-15(17)12-21(22)7-5-16(29-2)6-8-21/h3-4,9-11,13,16H,5-8,12H2,1-2H3,(H2,23,26).
What are the key properties of CID 58197247?
CID 58197247 has a molecular weight of 391.48 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197247 is sourced from PubChem (CID 58197247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).