4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

C23H22N4O3 — CID 51348183

IUPAC4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C23H22N4O3/c1-15-12-21-24-20(13-19(27(21)26-15)16-6-4-3-5-7-16)25-22(29)17-8-10-18(11-9-17)23(2,30)14-28/h3-13,28,30H,14H2,1-2H3,(H,24,25,29)/t23-/m1/s1
InChIKeySFSXPHIFVLRIHO-HSZRJFAPSA-N
MW402.45 g/mol
LogP3.16
Rot. Bonds5

About 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (PubChem CID 51348183) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
PubChem CID51348183
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C23H22N4O3/c1-15-12-21-24-20(13-19(27(21)26-15)16-6-4-3-5-7-16)25-22(29)17-8-10-18(11-9-17)23(2,30)14-28/h3-13,28,30H,14H2,1-2H3,(H,24,25,29)/t23-/m1/s1
InChIKeySFSXPHIFVLRIHO-HSZRJFAPSA-N
XLogP3.16
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide
CID 51348474
4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 75628494
4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67082901
2-[[2-methyl-2-[4-[(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)carbamoyl]phenyl]propyl]amino]-2-oxoacetic acid
CID 67064797
4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 75628651
N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064650
N-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 66878496
trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 67064043
N-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064656
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
4-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfinic acid
CID 70961380
N-ethyl-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 66896932

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The IUPAC name of 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (CID 51348183) is 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is Cc1cc2nc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The InChIKey is SFSXPHIFVLRIHO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-12-21-24-20(13-19(27(21)26-15)16-6-4-3-5-7-16)25-22(29)17-8-10-18(11-9-17)23(2,30)14-28/h3-13,28,30H,14H2,1-2H3,(H,24,25,29)/t23-/m1/s1.
What are the key properties of 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 51348183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).