pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone

C18H17N7O — CID 110118394

IUPACpyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn2cccnc12)N1CCCCC1c1ccn2nccc2n1
InChIInChI=1S/C18H17N7O/c26-18(13-12-21-25-10-3-7-19-17(13)25)23-9-2-1-4-15(23)14-6-11-24-16(22-14)5-8-20-24/h3,5-8,10-12,15H,1-2,4,9H2
InChIKeyDIYYRRNFRYLGKI-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.14
Rot. Bonds2

About pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone

pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone (PubChem CID 110118394) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
PubChem CID110118394
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Namepyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn2cccnc12)N1CCCCC1c1ccn2nccc2n1
InChIInChI=1S/C18H17N7O/c26-18(13-12-21-25-10-3-7-19-17(13)25)23-9-2-1-4-15(23)14-6-11-24-16(22-14)5-8-20-24/h3,5-8,10-12,15H,1-2,4,9H2
InChIKeyDIYYRRNFRYLGKI-UHFFFAOYSA-N
XLogP2.14
TPSA80.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124956541
pyrazolo[1,5-a]pyrimidin-3-yl-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70725693
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 20895587
[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125024045
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 70710800
(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 110118432
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124982655
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828566
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873890
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone (CID 110118394) is pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone is O=C(c1cnn2cccnc12)N1CCCCC1c1ccn2nccc2n1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone?
The InChIKey is DIYYRRNFRYLGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c26-18(13-12-21-25-10-3-7-19-17(13)25)23-9-2-1-4-15(23)14-6-11-24-16(22-14)5-8-20-24/h3,5-8,10-12,15H,1-2,4,9H2.
What are the key properties of pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone?
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone has a molecular weight of 347.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110118394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).