CID 155525257

C26H29Cl2N6O2 — CID 155525257

IUPAC—
SMILESCC1(C)CC(NC(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C26H29Cl2N6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-20(28)22(33-24)32-21-8-6-5-7-19(21)27/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33)
InChIKeyGBKAFRSEJQCGNT-UHFFFAOYSA-N
MW528.46 g/mol
LogP6.37
Rot. Bonds6

About CID 155525257

CID 155525257 (PubChem CID 155525257) has the molecular formula C26H29Cl2N6O2 and a molecular weight of 528.46 g/mol.

Molecular Properties

Compound NameCID 155525257
PubChem CID155525257
Molecular FormulaC26H29Cl2N6O2
Molecular Weight528.46 g/mol
Exact Mass527.17
IUPAC Name—
SMILESCC1(C)CC(NC(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C26H29Cl2N6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-20(28)22(33-24)32-21-8-6-5-7-19(21)27/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33)
InChIKeyGBKAFRSEJQCGNT-UHFFFAOYSA-N
XLogP6.37
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.46
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
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Frequently Asked Questions

What is the IUPAC name of CID 155525257?
The IUPAC name of CID 155525257 (CID 155525257) is not available.
What is the SMILES notation for CID 155525257?
The canonical SMILES for CID 155525257 is CC1(C)CC(NC(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O].
What is the InChIKey of CID 155525257?
The InChIKey is GBKAFRSEJQCGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N6O2/c1-25(2)13-18(14-26(3,4)34(25)36)30-23(35)16-9-11-17(12-10-16)31-24-29-15-20(28)22(33-24)32-21-8-6-5-7-19(21)27/h5-12,15,18H,13-14H2,1-4H3,(H,30,35)(H2,29,31,32,33).
What are the key properties of CID 155525257?
CID 155525257 has a molecular weight of 528.46 g/mol, XLogP of 6.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155525257 is sourced from PubChem (CID 155525257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).