CID 155521505

C26H29ClFN6O2 — CID 155521505

IUPAC—
SMILESCC1(C)CC(NC(=O)c2ccc(Nc3ncc(F)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C26H29ClFN6O2/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)
InChIKeySPWUNHDCOAYNOQ-UHFFFAOYSA-N
MW512.01 g/mol
LogP5.85
Rot. Bonds6

About CID 155521505

CID 155521505 (PubChem CID 155521505) has the molecular formula C26H29ClFN6O2 and a molecular weight of 512.01 g/mol.

Molecular Properties

Compound NameCID 155521505
PubChem CID155521505
Molecular FormulaC26H29ClFN6O2
Molecular Weight512.01 g/mol
Exact Mass511.20
IUPAC Name—
SMILESCC1(C)CC(NC(=O)c2ccc(Nc3ncc(F)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C26H29ClFN6O2/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)
InChIKeySPWUNHDCOAYNOQ-UHFFFAOYSA-N
XLogP5.85
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.01
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 155521505?
The IUPAC name of CID 155521505 (CID 155521505) is not available.
What is the SMILES notation for CID 155521505?
The canonical SMILES for CID 155521505 is CC1(C)CC(NC(=O)c2ccc(Nc3ncc(F)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O].
What is the InChIKey of CID 155521505?
The InChIKey is SPWUNHDCOAYNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN6O2/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 155521505?
CID 155521505 has a molecular weight of 512.01 g/mol, XLogP of 5.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155521505 is sourced from PubChem (CID 155521505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).