[(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid

C26H31N7O4 — CID 134496241

IUPAC[(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid
SMILESCCOc1cc(-c2ccc(N3CCN(C(=O)[C@@H](CC(C)C)NC(=O)O)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H31N7O4/c1-4-37-20-12-21(24-19(13-27)15-29-33(24)16-20)18-5-6-23(28-14-18)31-7-9-32(10-8-31)25(34)22(11-17(2)3)30-26(35)36/h5-6,12,14-17,22,30H,4,7-11H2,1-3H3,(H,35,36)/t22-/m1/s1
InChIKeyVUSQDMIHGNSFRC-JOCHJYFZSA-N
MW505.58 g/mol
LogP3.00
Rot. Bonds8

About [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid

[(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 134496241) has the molecular formula C26H31N7O4 and a molecular weight of 505.58 g/mol. Its IUPAC name is [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid
PubChem CID134496241
Molecular FormulaC26H31N7O4
Molecular Weight505.58 g/mol
Exact Mass505.24
IUPAC Name[(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid
SMILESCCOc1cc(-c2ccc(N3CCN(C(=O)[C@@H](CC(C)C)NC(=O)O)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H31N7O4/c1-4-37-20-12-21(24-19(13-27)15-29-33(24)16-20)18-5-6-23(28-14-18)31-7-9-32(10-8-31)25(34)22(11-17(2)3)30-26(35)36/h5-6,12,14-17,22,30H,4,7-11H2,1-3H3,(H,35,36)/t22-/m1/s1
InChIKeyVUSQDMIHGNSFRC-JOCHJYFZSA-N
XLogP3.00
TPSA136.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid with MolForge

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Related Compounds

4-[6-[4-[(2R)-2-(dimethylamino)-4-methylpentanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436504
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
6-ethoxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668378
tert-butyl N-[(2R)-1-[4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 140872402
6-ethoxy-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435526
4-[6-[4-[3-amino-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436465
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
CID 134435384
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-(2-methylbutoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164737653
4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 134437030
4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134496046

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid (CID 134496241) is [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid is CCOc1cc(-c2ccc(N3CCN(C(=O)[C@@H](CC(C)C)NC(=O)O)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid?
The InChIKey is VUSQDMIHGNSFRC-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31N7O4/c1-4-37-20-12-21(24-19(13-27)15-29-33(24)16-20)18-5-6-23(28-14-18)31-7-9-32(10-8-31)25(34)22(11-17(2)3)30-26(35)36/h5-6,12,14-17,22,30H,4,7-11H2,1-3H3,(H,35,36)/t22-/m1/s1.
What are the key properties of [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid?
[(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 505.58 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 134496241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).