(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C18H22N6O — CID 56779097

IUPAC(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2c(C)nn3cccnc23)c1
InChIInChI=1S/C18H22N6O/c1-13-10-20-22(11-13)12-15-6-3-4-8-23(15)18(25)16-14(2)21-24-9-5-7-19-17(16)24/h5,7,9-11,15H,3-4,6,8,12H2,1-2H3
InChIKeySMPMIVQCRRYTTO-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.24
Rot. Bonds3

About (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779097) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779097
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2c(C)nn3cccnc23)c1
InChIInChI=1S/C18H22N6O/c1-13-10-20-22(11-13)12-15-6-3-4-8-23(15)18(25)16-14(2)21-24-9-5-7-19-17(16)24/h5,7,9-11,15H,3-4,6,8,12H2,1-2H3
InChIKeySMPMIVQCRRYTTO-UHFFFAOYSA-N
XLogP2.24
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779097) is (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCCCN2C(=O)c2c(C)nn3cccnc23)c1.
What is the InChIKey of (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is SMPMIVQCRRYTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-10-20-22(11-13)12-15-6-3-4-8-23(15)18(25)16-14(2)21-24-9-5-7-19-17(16)24/h5,7,9-11,15H,3-4,6,8,12H2,1-2H3.
What are the key properties of (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 338.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).