(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

C19H19N5O2 — CID 124606712

IUPAC(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESCN1C(=O)CC[C@@H](C(=O)Nc2ccnc3ccnn23)[C@H]1c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-23-17(25)8-7-14(18(23)13-5-3-2-4-6-13)19(26)22-16-9-11-20-15-10-12-21-24(15)16/h2-6,9-12,14,18H,7-8H2,1H3,(H,22,26)/t14-,18-/m1/s1
InChIKeyFLRCPXWVOQWMEC-RDTXWAMCSA-N
MW349.39 g/mol
LogP2.28
Rot. Bonds3

About (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (PubChem CID 124606712) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
PubChem CID124606712
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESCN1C(=O)CC[C@@H](C(=O)Nc2ccnc3ccnn23)[C@H]1c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-23-17(25)8-7-14(18(23)13-5-3-2-4-6-13)19(26)22-16-9-11-20-15-10-12-21-24(15)16/h2-6,9-12,14,18H,7-8H2,1H3,(H,22,26)/t14-,18-/m1/s1
InChIKeyFLRCPXWVOQWMEC-RDTXWAMCSA-N
XLogP2.28
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (CID 124606712) is (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is CN1C(=O)CC[C@@H](C(=O)Nc2ccnc3ccnn23)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The InChIKey is FLRCPXWVOQWMEC-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23-17(25)8-7-14(18(23)13-5-3-2-4-6-13)19(26)22-16-9-11-20-15-10-12-21-24(15)16/h2-6,9-12,14,18H,7-8H2,1H3,(H,22,26)/t14-,18-/m1/s1.
What are the key properties of (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124606712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).