5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C27H30N4O3S — CID 42481556

IUPAC5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(Cc3cccc(OCCc4cccs4)c3)C[C@H]3CCCO3)cc2n1
InChIInChI=1S/C27H30N4O3S/c1-19-14-20(2)31-26(28-19)16-25(29-31)27(32)30(18-23-8-4-11-33-23)17-21-6-3-7-22(15-21)34-12-10-24-9-5-13-35-24/h3,5-7,9,13-16,23H,4,8,10-12,17-18H2,1-2H3/t23-/m1/s1
InChIKeyMYYOGZRDZQWLGF-HSZRJFAPSA-N
MW490.63 g/mol
LogP4.85
Rot. Bonds9

About 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 42481556) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID42481556
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(Cc3cccc(OCCc4cccs4)c3)C[C@H]3CCCO3)cc2n1
InChIInChI=1S/C27H30N4O3S/c1-19-14-20(2)31-26(28-19)16-25(29-31)27(32)30(18-23-8-4-11-33-23)17-21-6-3-7-22(15-21)34-12-10-24-9-5-13-35-24/h3,5-7,9,13-16,23H,4,8,10-12,17-18H2,1-2H3/t23-/m1/s1
InChIKeyMYYOGZRDZQWLGF-HSZRJFAPSA-N
XLogP4.85
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-5,7-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 129433974
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45220485
3-(3,5-dimethylpyrazol-1-yl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 45248080
3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42501340
4-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42448796
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055429
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 42498720
N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 42479618
2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 26334698
2,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 26317458

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 42481556) is 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(Cc3cccc(OCCc4cccs4)c3)C[C@H]3CCCO3)cc2n1.
What is the InChIKey of 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MYYOGZRDZQWLGF-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-19-14-20(2)31-26(28-19)16-25(29-31)27(32)30(18-23-8-4-11-33-23)17-21-6-3-7-22(15-21)34-12-10-24-9-5-13-35-24/h3,5-7,9,13-16,23H,4,8,10-12,17-18H2,1-2H3/t23-/m1/s1.
What are the key properties of 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 42481556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).