CID 167362957

C21H23N7O — CID 167362957

IUPAC—
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC3(CC3)CC1)C(=O)N2C
InChIInChI=1S/C21H23N7O/c1-13-9-16-23-12-24-28(16)11-14(13)25-19-22-10-15-17(26-19)21(18(29)27(15)2)7-5-20(3-4-20)6-8-21/h9-12H,3-8H2,1-2H3,(H,22,25,26)
InChIKeyRSFRULBMAGCYDD-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.14
Rot. Bonds2

About CID 167362957

CID 167362957 (PubChem CID 167362957) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol.

Molecular Properties

Compound NameCID 167362957
PubChem CID167362957
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name—
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC3(CC3)CC1)C(=O)N2C
InChIInChI=1S/C21H23N7O/c1-13-9-16-23-12-24-28(16)11-14(13)25-19-22-10-15-17(26-19)21(18(29)27(15)2)7-5-20(3-4-20)6-8-21/h9-12H,3-8H2,1-2H3,(H,22,25,26)
InChIKeyRSFRULBMAGCYDD-UHFFFAOYSA-N
XLogP3.14
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 167362957?
The IUPAC name of CID 167362957 (CID 167362957) is not available.
What is the SMILES notation for CID 167362957?
The canonical SMILES for CID 167362957 is Cc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC3(CC3)CC1)C(=O)N2C.
What is the InChIKey of CID 167362957?
The InChIKey is RSFRULBMAGCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-9-16-23-12-24-28(16)11-14(13)25-19-22-10-15-17(26-19)21(18(29)27(15)2)7-5-20(3-4-20)6-8-21/h9-12H,3-8H2,1-2H3,(H,22,25,26).
What are the key properties of CID 167362957?
CID 167362957 has a molecular weight of 389.46 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167362957 is sourced from PubChem (CID 167362957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).