(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone

C16H22N6O — CID 167927902

IUPAC(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone
SMILESCc1cc2n(n1)CCCN2C(=O)c1cnn(C2CCCNC2)c1
InChIInChI=1S/C16H22N6O/c1-12-8-15-20(6-3-7-21(15)19-12)16(23)13-9-18-22(11-13)14-4-2-5-17-10-14/h8-9,11,14,17H,2-7,10H2,1H3
InChIKeyGISXWQBJMMRATN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.36
Rot. Bonds2

About (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone

(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone (PubChem CID 167927902) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone
PubChem CID167927902
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone
SMILESCc1cc2n(n1)CCCN2C(=O)c1cnn(C2CCCNC2)c1
InChIInChI=1S/C16H22N6O/c1-12-8-15-20(6-3-7-21(15)19-12)16(23)13-9-18-22(11-13)14-4-2-5-17-10-14/h8-9,11,14,17H,2-7,10H2,1H3
InChIKeyGISXWQBJMMRATN-UHFFFAOYSA-N
XLogP1.36
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone?
The IUPAC name of (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone (CID 167927902) is (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone?
The canonical SMILES for (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone is Cc1cc2n(n1)CCCN2C(=O)c1cnn(C2CCCNC2)c1.
What is the InChIKey of (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone?
The InChIKey is GISXWQBJMMRATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-8-15-20(6-3-7-21(15)19-12)16(23)13-9-18-22(11-13)14-4-2-5-17-10-14/h8-9,11,14,17H,2-7,10H2,1H3.
What are the key properties of (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone?
(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 167927902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).