5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine

C19H22N8O — CID 24824680

IUPAC5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1
InChIInChI=1S/C19H22N8O/c1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14/h6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25)
InChIKeyNBGNQRDSPMRZAO-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.64
Rot. Bonds4

About 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine

5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine (PubChem CID 24824680) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine
PubChem CID24824680
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1
InChIInChI=1S/C19H22N8O/c1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14/h6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25)
InChIKeyNBGNQRDSPMRZAO-UHFFFAOYSA-N
XLogP2.64
TPSA98.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine (CID 24824680) is 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine is Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.
What is the InChIKey of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine?
The InChIKey is NBGNQRDSPMRZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14/h6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25).
What are the key properties of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine?
5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine has a molecular weight of 378.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 24824680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).