N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N6O2 — CID 125007820

IUPACN-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1cnn2cccnc12
InChIInChI=1S/C17H18N6O2/c24-17(13-11-22-23-6-3-5-18-16(13)23)21-10-12-8-19-15(20-9-12)14-4-1-2-7-25-14/h3,5-6,8-9,11,14H,1-2,4,7,10H2,(H,21,24)/t14-/m0/s1
InChIKeyUQLLBRWGOBSHDN-AWEZNQCLSA-N
MW338.37 g/mol
LogP1.69
Rot. Bonds4

About N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 125007820) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID125007820
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1cnn2cccnc12
InChIInChI=1S/C17H18N6O2/c24-17(13-11-22-23-6-3-5-18-16(13)23)21-10-12-8-19-15(20-9-12)14-4-1-2-7-25-14/h3,5-6,8-9,11,14H,1-2,4,7,10H2,(H,21,24)/t14-/m0/s1
InChIKeyUQLLBRWGOBSHDN-AWEZNQCLSA-N
XLogP1.69
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide
CID 125024972
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117723
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124998741

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 125007820) is N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1cnn2cccnc12.
What is the InChIKey of N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UQLLBRWGOBSHDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-17(13-11-22-23-6-3-5-18-16(13)23)21-10-12-8-19-15(20-9-12)14-4-1-2-7-25-14/h3,5-6,8-9,11,14H,1-2,4,7,10H2,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 125007820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).