(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

C23H29N5O — CID 24792099

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC(Nc4ccc(C(C)C)cc4)C3)cc2n1
InChIInChI=1S/C23H29N5O/c1-15(2)18-7-9-19(10-8-18)25-20-6-5-11-27(14-20)23(29)21-13-22-24-16(3)12-17(4)28(22)26-21/h7-10,12-13,15,20,25H,5-6,11,14H2,1-4H3
InChIKeyBFMCMVMCSVSBOO-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.19
Rot. Bonds4

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (PubChem CID 24792099) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
PubChem CID24792099
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC(Nc4ccc(C(C)C)cc4)C3)cc2n1
InChIInChI=1S/C23H29N5O/c1-15(2)18-7-9-19(10-8-18)25-20-6-5-11-27(14-20)23(29)21-13-22-24-16(3)12-17(4)28(22)26-21/h7-10,12-13,15,20,25H,5-6,11,14H2,1-4H3
InChIKeyBFMCMVMCSVSBOO-UHFFFAOYSA-N
XLogP4.19
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (CID 24792099) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCCC(Nc4ccc(C(C)C)cc4)C3)cc2n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The InChIKey is BFMCMVMCSVSBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15(2)18-7-9-19(10-8-18)25-20-6-5-11-27(14-20)23(29)21-13-22-24-16(3)12-17(4)28(22)26-21/h7-10,12-13,15,20,25H,5-6,11,14H2,1-4H3.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24792099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).