CID 70219177

C24H29N5O3 — CID 70219177

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)N(Cc2nnc(C)o2)C1=O
InChIInChI=1S/C24H29N5O3/c1-14-27-28-20(32-14)13-29-21(30)24(26-22(29)25)19-11-16(15-3-4-15)5-6-17(19)12-23(24)9-7-18(31-2)8-10-23/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3,(H2,25,26)
InChIKeyZPCHRBPOLSJGJT-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.94
Rot. Bonds4

About CID 70219177

CID 70219177 (PubChem CID 70219177) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol.

Molecular Properties

Compound NameCID 70219177
PubChem CID70219177
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)N(Cc2nnc(C)o2)C1=O
InChIInChI=1S/C24H29N5O3/c1-14-27-28-20(32-14)13-29-21(30)24(26-22(29)25)19-11-16(15-3-4-15)5-6-17(19)12-23(24)9-7-18(31-2)8-10-23/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3,(H2,25,26)
InChIKeyZPCHRBPOLSJGJT-UHFFFAOYSA-N
XLogP2.94
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 70219177?
The IUPAC name of CID 70219177 (CID 70219177) is not available.
What is the SMILES notation for CID 70219177?
The canonical SMILES for CID 70219177 is COC1CCC2(CC1)Cc1ccc(C3CC3)cc1C21N=C(N)N(Cc2nnc(C)o2)C1=O.
What is the InChIKey of CID 70219177?
The InChIKey is ZPCHRBPOLSJGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-14-27-28-20(32-14)13-29-21(30)24(26-22(29)25)19-11-16(15-3-4-15)5-6-17(19)12-23(24)9-7-18(31-2)8-10-23/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3,(H2,25,26).
What are the key properties of CID 70219177?
CID 70219177 has a molecular weight of 435.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70219177 is sourced from PubChem (CID 70219177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).