CID 67885779

C24H22F3KN7 — CID 67885779

IUPAC—
SMILESFC(F)(F)c1nc2c(c(NCc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)n1)CCCCC2.[K]
InChIInChI=1S/C24H22F3N7.K/c25-24(26,27)23-29-20-9-3-1-2-8-19(20)21(30-23)28-14-15-10-12-16(13-11-15)17-6-4-5-7-18(17)22-31-33-34-32-22;/h4-7,10-13H,1-3,8-9,14H2,(H,28,29,30)(H,31,32,33,34);
InChIKeyUCMCPYLEGLYDBK-UHFFFAOYSA-N
MW504.58 g/mol
LogP4.84
Rot. Bonds5

About CID 67885779

CID 67885779 (PubChem CID 67885779) has the molecular formula C24H22F3KN7 and a molecular weight of 504.58 g/mol.

Molecular Properties

Compound NameCID 67885779
PubChem CID67885779
Molecular FormulaC24H22F3KN7
Molecular Weight504.58 g/mol
Exact Mass504.15
IUPAC Name—
SMILESFC(F)(F)c1nc2c(c(NCc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)n1)CCCCC2.[K]
InChIInChI=1S/C24H22F3N7.K/c25-24(26,27)23-29-20-9-3-1-2-8-19(20)21(30-23)28-14-15-10-12-16(13-11-15)17-6-4-5-7-18(17)22-31-33-34-32-22;/h4-7,10-13H,1-3,8-9,14H2,(H,28,29,30)(H,31,32,33,34);
InChIKeyUCMCPYLEGLYDBK-UHFFFAOYSA-N
XLogP4.84
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.58
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8,8-difluoro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-quinazolin-4-amine
CID 19744182
CID 70340213
CID 70340213
methyl 2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]acetate
CID 54557698
N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-amine
CID 19787149
6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 19779318
5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 19009708
CID 67751380
CID 67751380
N-[[4-[2-[amino-(2-aminohydrazinyl)-cyclobutylmethyl]phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 162576723
2-chloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 19742796
2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 141100265
methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride
CID 19771802
[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
CID 15657933

Frequently Asked Questions

What is the IUPAC name of CID 67885779?
The IUPAC name of CID 67885779 (CID 67885779) is not available.
What is the SMILES notation for CID 67885779?
The canonical SMILES for CID 67885779 is FC(F)(F)c1nc2c(c(NCc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)n1)CCCCC2.[K].
What is the InChIKey of CID 67885779?
The InChIKey is UCMCPYLEGLYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7.K/c25-24(26,27)23-29-20-9-3-1-2-8-19(20)21(30-23)28-14-15-10-12-16(13-11-15)17-6-4-5-7-18(17)22-31-33-34-32-22;/h4-7,10-13H,1-3,8-9,14H2,(H,28,29,30)(H,31,32,33,34);.
What are the key properties of CID 67885779?
CID 67885779 has a molecular weight of 504.58 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67885779 is sourced from PubChem (CID 67885779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).