4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C18H23N5O — CID 163463321

IUPAC4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@H]1C[C@@H](CC(=O)[C@H](C)N)CN(c2ccc(C#N)n3nccc23)C1
InChIInChI=1S/C18H23N5O/c1-12-7-14(8-18(24)13(2)20)11-22(10-12)16-4-3-15(9-19)23-17(16)5-6-21-23/h3-6,12-14H,7-8,10-11,20H2,1-2H3/t12-,13-,14-/m0/s1
InChIKeyQNTAPESNQRFMDC-IHRRRGAJSA-N
MW325.42 g/mol
LogP1.97
Rot. Bonds4

About 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 163463321) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID163463321
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@H]1C[C@@H](CC(=O)[C@H](C)N)CN(c2ccc(C#N)n3nccc23)C1
InChIInChI=1S/C18H23N5O/c1-12-7-14(8-18(24)13(2)20)11-22(10-12)16-4-3-15(9-19)23-17(16)5-6-21-23/h3-6,12-14H,7-8,10-11,20H2,1-2H3/t12-,13-,14-/m0/s1
InChIKeyQNTAPESNQRFMDC-IHRRRGAJSA-N
XLogP1.97
TPSA87.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 163463321) is 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@H]1C[C@@H](CC(=O)[C@H](C)N)CN(c2ccc(C#N)n3nccc23)C1.
What is the InChIKey of 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is QNTAPESNQRFMDC-IHRRRGAJSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-7-14(8-18(24)13(2)20)11-22(10-12)16-4-3-15(9-19)23-17(16)5-6-21-23/h3-6,12-14H,7-8,10-11,20H2,1-2H3/t12-,13-,14-/m0/s1.
What are the key properties of 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 163463321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).