5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide

C22H21N5O3 — CID 51348474

IUPAC5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide
SMILESCc1cc2nc(NC(=O)c3ccc([C@@](C)(O)CO)cn3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C22H21N5O3/c1-14-10-20-24-19(11-18(27(20)26-14)15-6-4-3-5-7-15)25-21(29)17-9-8-16(12-23-17)22(2,30)13-28/h3-12,28,30H,13H2,1-2H3,(H,24,25,29)/t22-/m0/s1
InChIKeyHOEUJDBVQOWIDA-QFIPXVFZSA-N
MW403.44 g/mol
LogP2.55
Rot. Bonds5

About 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide

5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide (PubChem CID 51348474) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide
PubChem CID51348474
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide
SMILESCc1cc2nc(NC(=O)c3ccc([C@@](C)(O)CO)cn3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C22H21N5O3/c1-14-10-20-24-19(11-18(27(20)26-14)15-6-4-3-5-7-15)25-21(29)17-9-8-16(12-23-17)22(2,30)13-28/h3-12,28,30H,13H2,1-2H3,(H,24,25,29)/t22-/m0/s1
InChIKeyHOEUJDBVQOWIDA-QFIPXVFZSA-N
XLogP2.55
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide (CID 51348474) is 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide is Cc1cc2nc(NC(=O)c3ccc([C@@](C)(O)CO)cn3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide?
The InChIKey is HOEUJDBVQOWIDA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-14-10-20-24-19(11-18(27(20)26-14)15-6-4-3-5-7-15)25-21(29)17-9-8-16(12-23-17)22(2,30)13-28/h3-12,28,30H,13H2,1-2H3,(H,24,25,29)/t22-/m0/s1.
What are the key properties of 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide?
5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 51348474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).