(2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

C18H27N5O — CID 75471372

IUPAC(2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1cc2ncc(C(C)N[C@@H](C)C(=O)N3CCCCC3)c(C)n2n1
InChIInChI=1S/C18H27N5O/c1-12-10-17-19-11-16(15(4)23(17)21-12)13(2)20-14(3)18(24)22-8-6-5-7-9-22/h10-11,13-14,20H,5-9H2,1-4H3/t13?,14-/m0/s1
InChIKeyACBVWFKCGBDWKN-KZUDCZAMSA-N
MW329.45 g/mol
LogP2.40
Rot. Bonds4

About (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

(2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 75471372) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID75471372
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1cc2ncc(C(C)N[C@@H](C)C(=O)N3CCCCC3)c(C)n2n1
InChIInChI=1S/C18H27N5O/c1-12-10-17-19-11-16(15(4)23(17)21-12)13(2)20-14(3)18(24)22-8-6-5-7-9-22/h10-11,13-14,20H,5-9H2,1-4H3/t13?,14-/m0/s1
InChIKeyACBVWFKCGBDWKN-KZUDCZAMSA-N
XLogP2.40
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 75471372) is (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is Cc1cc2ncc(C(C)N[C@@H](C)C(=O)N3CCCCC3)c(C)n2n1.
What is the InChIKey of (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ACBVWFKCGBDWKN-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12-10-17-19-11-16(15(4)23(17)21-12)13(2)20-14(3)18(24)22-8-6-5-7-9-22/h10-11,13-14,20H,5-9H2,1-4H3/t13?,14-/m0/s1.
What are the key properties of (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
(2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 329.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 75471372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).