N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide

C21H17FN4O3S — CID 91281759

IUPACN-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(F)cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1OC
InChIInChI=1S/C21H17FN4O3S/c1-3-18(27)25-15-10-12(22)9-13(20(15)29-2)16-6-7-23-21-14(11-24-26(16)21)19(28)17-5-4-8-30-17/h4-11H,3H2,1-2H3,(H,25,27)
InChIKeyBBQCVVHWOXZJKI-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.18
Rot. Bonds6

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

N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide (PubChem CID 91281759) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide
PubChem CID91281759
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC NameN-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(F)cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1OC
InChIInChI=1S/C21H17FN4O3S/c1-3-18(27)25-15-10-12(22)9-13(20(15)29-2)16-6-7-23-21-14(11-24-26(16)21)19(28)17-5-4-8-30-17/h4-11H,3H2,1-2H3,(H,25,27)
InChIKeyBBQCVVHWOXZJKI-UHFFFAOYSA-N
XLogP4.18
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
CID 42629482
N-{3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-2-furamide
CID 44390169
US11155557, Example 92
CID 146236255
[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl] N-propan-2-ylcarbamate
CID 44590721
N-(2-Methoxyphenyl)-5-methyl-7-(pyridin-3-YL)-2-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135515090
N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
CID 44590640
US10100058, Example 210
CID 134539747
1-[6-[(3-Fluoro-5-methylsulfonyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 166799204
1-[6-[[3-Fluoro-5-(methylsulfonylmethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one
CID 166799266
2-amino-N-propan-2-yl-6-[5-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoyl]thiophen-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 169552406
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 169552573
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)thiophene-2-carboxamide
CID 169552593

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide?
The IUPAC name of N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide (CID 91281759) is N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide.
What is the SMILES notation for N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide?
The canonical SMILES for N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide is CCC(=O)Nc1cc(F)cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1OC.
What is the InChIKey of N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide?
The InChIKey is BBQCVVHWOXZJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-3-18(27)25-15-10-12(22)9-13(20(15)29-2)16-6-7-23-21-14(11-24-26(16)21)19(28)17-5-4-8-30-17/h4-11H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide?
N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide has a molecular weight of 424.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methoxy-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide is sourced from PubChem (CID 91281759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).