5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine

C19H13F2N5O3S — CID 66677774

IUPAC5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine
SMILESO=C(Nc1ccccc1)c1cnn2ccc(N(c3c(F)cccc3F)S(=O)O)nc12
InChIInChI=1S/C19H13F2N5O3S/c20-14-7-4-8-15(21)17(14)26(30(28)29)16-9-10-25-18(24-16)13(11-22-25)19(27)23-12-5-2-1-3-6-12/h1-11H,(H,23,27)(H,28,29)
InChIKeyCKABDRWTRZAGTO-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.53
Rot. Bonds5

About 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine

5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 66677774) has the molecular formula C19H13F2N5O3S and a molecular weight of 429.41 g/mol. Its IUPAC name is 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine
PubChem CID66677774
Molecular FormulaC19H13F2N5O3S
Molecular Weight429.41 g/mol
Exact Mass429.07
IUPAC Name5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine
SMILESO=C(Nc1ccccc1)c1cnn2ccc(N(c3c(F)cccc3F)S(=O)O)nc12
InChIInChI=1S/C19H13F2N5O3S/c20-14-7-4-8-15(21)17(14)26(30(28)29)16-9-10-25-18(24-16)13(11-22-25)19(27)23-12-5-2-1-3-6-12/h1-11H,(H,23,27)(H,28,29)
InChIKeyCKABDRWTRZAGTO-UHFFFAOYSA-N
XLogP3.53
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methyl-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine
CID 66677321
5-(2-methyl-N-sulfinatoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine
CID 66677715
5-(2-hydroxyethylamino)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677577
5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677802
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438
N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677737
5-[(3-methylimidazol-4-yl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66676454
5-amino-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153105
5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677518
5-chloro-N-phenylpyrazolo[1,5-c]pyrimidine-3-carboxamide
CID 87103079
N-(4-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063211

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine (CID 66677774) is 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine is O=C(Nc1ccccc1)c1cnn2ccc(N(c3c(F)cccc3F)S(=O)O)nc12.
What is the InChIKey of 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CKABDRWTRZAGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O3S/c20-14-7-4-8-15(21)17(14)26(30(28)29)16-9-10-25-18(24-16)13(11-22-25)19(27)23-12-5-2-1-3-6-12/h1-11H,(H,23,27)(H,28,29).
What are the key properties of 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine?
5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 429.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66677774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).