N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide

C21H24N4O2 — CID 50961861

IUPACN-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide
SMILESCC(C)[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2cnn3cccnc23)O1
InChIInChI=1S/C21H24N4O2/c1-14(2)18-11-16(24-21(26)15-7-4-3-5-8-15)12-19(27-18)17-13-23-25-10-6-9-22-20(17)25/h3-10,13-14,16,18-19H,11-12H2,1-2H3,(H,24,26)/t16-,18-,19+/m1/s1
InChIKeyLVJDSIMMKDOOFJ-QRQLOZEOSA-N
MW364.45 g/mol
LogP3.40
Rot. Bonds4

About N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide

N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide (PubChem CID 50961861) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide
PubChem CID50961861
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide
SMILESCC(C)[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2cnn3cccnc23)O1
InChIInChI=1S/C21H24N4O2/c1-14(2)18-11-16(24-21(26)15-7-4-3-5-8-15)12-19(27-18)17-13-23-25-10-6-9-22-20(17)25/h3-10,13-14,16,18-19H,11-12H2,1-2H3,(H,24,26)/t16-,18-,19+/m1/s1
InChIKeyLVJDSIMMKDOOFJ-QRQLOZEOSA-N
XLogP3.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide?
The IUPAC name of N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide (CID 50961861) is N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide?
The canonical SMILES for N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide is CC(C)[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2cnn3cccnc23)O1.
What is the InChIKey of N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide?
The InChIKey is LVJDSIMMKDOOFJ-QRQLOZEOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)18-11-16(24-21(26)15-7-4-3-5-8-15)12-19(27-18)17-13-23-25-10-6-9-22-20(17)25/h3-10,13-14,16,18-19H,11-12H2,1-2H3,(H,24,26)/t16-,18-,19+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide?
N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide is sourced from PubChem (CID 50961861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).