5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C19H25N5O — CID 92589156

IUPAC5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1
InChIInChI=1S/C19H25N5O/c1-3-15-6-7-16(25-15)12-23-8-4-5-14(11-23)17-10-18(20)24-19(21-17)9-13(2)22-24/h6-7,9-10,14H,3-5,8,11-12,20H2,1-2H3/t14-/m0/s1
InChIKeyMNORGWWSWVOCMK-AWEZNQCLSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds4

About 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 92589156) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID92589156
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1
InChIInChI=1S/C19H25N5O/c1-3-15-6-7-16(25-15)12-23-8-4-5-14(11-23)17-10-18(20)24-19(21-17)9-13(2)22-24/h6-7,9-10,14H,3-5,8,11-12,20H2,1-2H3/t14-/m0/s1
InChIKeyMNORGWWSWVOCMK-AWEZNQCLSA-N
XLogP3.15
TPSA72.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 92589156) is 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1.
What is the InChIKey of 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MNORGWWSWVOCMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-15-6-7-16(25-15)12-23-8-4-5-14(11-23)17-10-18(20)24-19(21-17)9-13(2)22-24/h6-7,9-10,14H,3-5,8,11-12,20H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 92589156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).