(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C17H23N5O — CID 134794784

IUPAC(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc2ncc(C(=O)N3CCC(N4CCCC4)CC3)cn2n1
InChIInChI=1S/C17H23N5O/c1-13-10-16-18-11-14(12-22(16)19-13)17(23)21-8-4-15(5-9-21)20-6-2-3-7-20/h10-12,15H,2-9H2,1H3
InChIKeyJDMIABDYUSSUAM-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.74
Rot. Bonds2

About (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 134794784) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID134794784
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc2ncc(C(=O)N3CCC(N4CCCC4)CC3)cn2n1
InChIInChI=1S/C17H23N5O/c1-13-10-16-18-11-14(12-22(16)19-13)17(23)21-8-4-15(5-9-21)20-6-2-3-7-20/h10-12,15H,2-9H2,1H3
InChIKeyJDMIABDYUSSUAM-UHFFFAOYSA-N
XLogP1.74
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 134794784) is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1cc2ncc(C(=O)N3CCC(N4CCCC4)CC3)cn2n1.
What is the InChIKey of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is JDMIABDYUSSUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-10-16-18-11-14(12-22(16)19-13)17(23)21-8-4-15(5-9-21)20-6-2-3-7-20/h10-12,15H,2-9H2,1H3.
What are the key properties of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 134794784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).