(5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C16H25N5O2 — CID 129489485

IUPAC(5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2cnn3c2C[C@H](CN(C)C)CC3)C1
InChIInChI=1S/C16H25N5O2/c1-11(22)20-9-13(10-20)18-16(23)14-7-17-21-5-4-12(6-15(14)21)8-19(2)3/h7,12-13H,4-6,8-10H2,1-3H3,(H,18,23)/t12-/m1/s1
InChIKeyTXXKEUBIVIBWCT-GFCCVEGCSA-N
MW319.41 g/mol
LogP-0.03
Rot. Bonds4

About (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129489485) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID129489485
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2cnn3c2C[C@H](CN(C)C)CC3)C1
InChIInChI=1S/C16H25N5O2/c1-11(22)20-9-13(10-20)18-16(23)14-7-17-21-5-4-12(6-15(14)21)8-19(2)3/h7,12-13H,4-6,8-10H2,1-3H3,(H,18,23)/t12-/m1/s1
InChIKeyTXXKEUBIVIBWCT-GFCCVEGCSA-N
XLogP-0.03
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129489485) is (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(=O)N1CC(NC(=O)c2cnn3c2C[C@H](CN(C)C)CC3)C1.
What is the InChIKey of (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is TXXKEUBIVIBWCT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(22)20-9-13(10-20)18-16(23)14-7-17-21-5-4-12(6-15(14)21)8-19(2)3/h7,12-13H,4-6,8-10H2,1-3H3,(H,18,23)/t12-/m1/s1.
What are the key properties of (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
(5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(1-acetylazetidin-3-yl)-5-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129489485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).