[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C16H18N6O — CID 124982655

IUPAC[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCc1cn(C)c([C@H]2CCCN2C(=O)c2cnn3cccnc23)n1
InChIInChI=1S/C16H18N6O/c1-11-10-20(2)15(19-11)13-5-3-7-21(13)16(23)12-9-18-22-8-4-6-17-14(12)22/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m1/s1
InChIKeyMYQCPQLPTZGWRC-CYBMUJFWSA-N
MW310.36 g/mol
LogP1.75
Rot. Bonds2

About [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 124982655) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID124982655
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCc1cn(C)c([C@H]2CCCN2C(=O)c2cnn3cccnc23)n1
InChIInChI=1S/C16H18N6O/c1-11-10-20(2)15(19-11)13-5-3-7-21(13)16(23)12-9-18-22-8-4-6-17-14(12)22/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m1/s1
InChIKeyMYQCPQLPTZGWRC-CYBMUJFWSA-N
XLogP1.75
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124956541
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 20895587
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125005800
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118394
pyrazolo[1,5-a]pyrimidin-3-yl-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70725693
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873890
[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127246156
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 70710800
[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110223102
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 110104544
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978525

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 124982655) is [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is Cc1cn(C)c([C@H]2CCCN2C(=O)c2cnn3cccnc23)n1.
What is the InChIKey of [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is MYQCPQLPTZGWRC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-10-20(2)15(19-11)13-5-3-7-21(13)16(23)12-9-18-22-8-4-6-17-14(12)22/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 310.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 124982655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).