N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide

C22H23F2N3O3 — CID 77353586

IUPACN-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1cc(F)c(-n2cc3ccc(OCC4CC4)cc3n2)c(F)c1
InChIInChI=1S/C22H23F2N3O3/c1-13(25-14(2)28)11-29-18-7-19(23)22(20(24)8-18)27-10-16-5-6-17(9-21(16)26-27)30-12-15-3-4-15/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,25,28)
InChIKeyZETGTQKMAFPDRZ-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.00
Rot. Bonds8

About N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide

N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide (PubChem CID 77353586) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide
PubChem CID77353586
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC NameN-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1cc(F)c(-n2cc3ccc(OCC4CC4)cc3n2)c(F)c1
InChIInChI=1S/C22H23F2N3O3/c1-13(25-14(2)28)11-29-18-7-19(23)22(20(24)8-18)27-10-16-5-6-17(9-21(16)26-27)30-12-15-3-4-15/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,25,28)
InChIKeyZETGTQKMAFPDRZ-UHFFFAOYSA-N
XLogP4.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[6-(cyclopropylmethoxy)-3-methylindazol-2-yl]phenoxy]propan-2-yl]acetamide
CID 77353781
N-[1-[4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenoxy]propan-2-yl]acetamide
CID 77353654
N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777812
N-[(2S)-1-[4-[7-(cyclopropylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenoxy]propan-2-yl]acetamide
CID 67777438
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
CID 130472859
[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid
CID 67778494
N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide
CID 67777850
6-(cyclopropylmethoxy)-2-phenylindazole
CID 141339260
N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide
CID 123858906
1-[4-[2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-fluoroethanimidoyl]-3-fluorophenoxy]propan-2-ylurea
CID 123584977
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-5-fluoro-3-pyridinyl]oxy]propan-2-yl]urea
CID 67778683
1-[1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-5-fluoro-3-pyridinyl]oxy]propan-2-yl]-3-methylurea
CID 77353934

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide (CID 77353586) is N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide is CC(=O)NC(C)COc1cc(F)c(-n2cc3ccc(OCC4CC4)cc3n2)c(F)c1.
What is the InChIKey of N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide?
The InChIKey is ZETGTQKMAFPDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-13(25-14(2)28)11-29-18-7-19(23)22(20(24)8-18)27-10-16-5-6-17(9-21(16)26-27)30-12-15-3-4-15/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide?
N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide has a molecular weight of 415.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 77353586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).