N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide

C24H25F2N5O2 — CID 142403721

IUPACN-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide
SMILESCCC(CCNC(C)=O)Oc1cccc2ncc(-c3ccc(-c4cnn(C(F)F)c4)cc3)n12
InChIInChI=1S/C24H25F2N5O2/c1-3-20(11-12-27-16(2)32)33-23-6-4-5-22-28-14-21(31(22)23)18-9-7-17(8-10-18)19-13-29-30(15-19)24(25)26/h4-10,13-15,20,24H,3,11-12H2,1-2H3,(H,27,32)
InChIKeySIWMZTCMIHHPSJ-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.94
Rot. Bonds9

About N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide

N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide (PubChem CID 142403721) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide
PubChem CID142403721
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC NameN-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide
SMILESCCC(CCNC(C)=O)Oc1cccc2ncc(-c3ccc(-c4cnn(C(F)F)c4)cc3)n12
InChIInChI=1S/C24H25F2N5O2/c1-3-20(11-12-27-16(2)32)33-23-6-4-5-22-28-14-21(31(22)23)18-9-7-17(8-10-18)19-13-29-30(15-19)24(25)26/h4-10,13-15,20,24H,3,11-12H2,1-2H3,(H,27,32)
InChIKeySIWMZTCMIHHPSJ-UHFFFAOYSA-N
XLogP4.94
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acrizanib
CID 59394698
Methyl substituted pyrazole, 27
CID 23648674
Mbm-55
CID 137636872
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
3-(difluoromethyl)-4-fluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 161384589
Idrx-42
CID 155587867
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414856
US11091495, Example 228
CID 152324986
7-(difluoromethyl)-5-(4-methoxyphenyl)-3-[(2-methyl-1H-imidazol-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1259791
2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-N-(1-pyridin-3-ylethyl)acetamide
CID 67209575

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide?
The IUPAC name of N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide (CID 142403721) is N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide.
What is the SMILES notation for N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide?
The canonical SMILES for N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide is CCC(CCNC(C)=O)Oc1cccc2ncc(-c3ccc(-c4cnn(C(F)F)c4)cc3)n12.
What is the InChIKey of N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide?
The InChIKey is SIWMZTCMIHHPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-3-20(11-12-27-16(2)32)33-23-6-4-5-22-28-14-21(31(22)23)18-9-7-17(8-10-18)19-13-29-30(15-19)24(25)26/h4-10,13-15,20,24H,3,11-12H2,1-2H3,(H,27,32).
What are the key properties of N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide?
N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide has a molecular weight of 453.49 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxypentyl]acetamide is sourced from PubChem (CID 142403721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).