4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid

C24H26N6O5 — CID 134496357

IUPAC4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCC1(C)OC[C@H](COc2cc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c3c(C#N)cnn3c2)O1
InChIInChI=1S/C24H26N6O5/c1-24(2)34-15-19(35-24)14-33-18-9-20(22-17(10-25)12-27-30(22)13-18)16-3-4-21(26-11-16)28-5-7-29(8-6-28)23(31)32/h3-4,9,11-13,19H,5-8,14-15H2,1-2H3,(H,31,32)/t19-/m0/s1
InChIKeyIGZXDANLKVWNJQ-IBGZPJMESA-N
MW478.51 g/mol
LogP2.60
Rot. Bonds5

About 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 134496357) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID134496357
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCC1(C)OC[C@H](COc2cc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c3c(C#N)cnn3c2)O1
InChIInChI=1S/C24H26N6O5/c1-24(2)34-15-19(35-24)14-33-18-9-20(22-17(10-25)12-27-30(22)13-18)16-3-4-21(26-11-16)28-5-7-29(8-6-28)23(31)32/h3-4,9,11-13,19H,5-8,14-15H2,1-2H3,(H,31,32)/t19-/m0/s1
InChIKeyIGZXDANLKVWNJQ-IBGZPJMESA-N
XLogP2.60
TPSA125.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667886
6-methoxy-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668471
6-ethoxy-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435526
4-[5-[3-cyano-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 135150062
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667116
tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134435714
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225
tert-butyl 4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134436929
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668499
6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134510617
[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate
CID 164737586

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid (CID 134496357) is 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid is CC1(C)OC[C@H](COc2cc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c3c(C#N)cnn3c2)O1.
What is the InChIKey of 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is IGZXDANLKVWNJQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N6O5/c1-24(2)34-15-19(35-24)14-33-18-9-20(22-17(10-25)12-27-30(22)13-18)16-3-4-21(26-11-16)28-5-7-29(8-6-28)23(31)32/h3-4,9,11-13,19H,5-8,14-15H2,1-2H3,(H,31,32)/t19-/m0/s1.
What are the key properties of 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 478.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-cyano-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 134496357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).