N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

C22H19FN4O2S — CID 24873520

IUPACN-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESCC(=O)N(CCCF)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C22H19FN4O2S/c1-15(28)26(11-4-9-23)17-6-2-5-16(13-17)19-8-10-24-22-18(14-25-27(19)22)21(29)20-7-3-12-30-20/h2-3,5-8,10,12-14H,4,9,11H2,1H3
InChIKeyAFERYSFBXAPRQW-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.40
Rot. Bonds7

About N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 24873520) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
PubChem CID24873520
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC NameN-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESCC(=O)N(CCCF)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C22H19FN4O2S/c1-15(28)26(11-4-9-23)17-6-2-5-16(13-17)19-8-10-24-22-18(14-25-27(19)22)21(29)20-7-3-12-30-20/h2-3,5-8,10,12-14H,4,9,11H2,1H3
InChIKeyAFERYSFBXAPRQW-UHFFFAOYSA-N
XLogP4.40
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The IUPAC name of N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (CID 24873520) is N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.
What is the SMILES notation for N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The canonical SMILES for N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is CC(=O)N(CCCF)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The InChIKey is AFERYSFBXAPRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-15(28)26(11-4-9-23)17-6-2-5-16(13-17)19-8-10-24-22-18(14-25-27(19)22)21(29)20-7-3-12-30-20/h2-3,5-8,10,12-14H,4,9,11H2,1H3.
What are the key properties of N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 24873520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).