tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate

C26H28N8O2 — CID 175810118

IUPACtert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCn1cc(-c2cc(-c3ccc(C4CNCCN4C(=O)OC(C)(C)C)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H28N8O2/c1-26(2,3)36-25(35)33-8-7-28-14-23(33)22-6-5-17(11-29-22)21-9-18(20-13-30-32(4)15-20)16-34-24(21)19(10-27)12-31-34/h5-6,9,11-13,15-16,23,28H,7-8,14H2,1-4H3
InChIKeyDDPRRISAZUDIMW-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 175810118) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID175810118
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Nametert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCn1cc(-c2cc(-c3ccc(C4CNCCN4C(=O)OC(C)(C)C)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H28N8O2/c1-26(2,3)36-25(35)33-8-7-28-14-23(33)22-6-5-17(11-29-22)21-9-18(20-13-30-32(4)15-20)16-34-24(21)19(10-27)12-31-34/h5-6,9,11-13,15-16,23,28H,7-8,14H2,1-4H3
InChIKeyDDPRRISAZUDIMW-UHFFFAOYSA-N
XLogP3.55
TPSA113.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (1S,5S)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-(hydroxymethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 170699427
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 140882208
6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660411
tert-butyl 4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-methylpiperazine-1-carboxylate
CID 175714263
4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148655588
tert-butyl N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 126752988
tert-butyl N-tert-butyl-N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 126740126
6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150240
tert-butyl 3-[5-[3-cyano-6-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.2.1]octane-6-carboxylate
CID 155576271
tert-butyl piperazine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
CID 175714476
N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide
CID 164754995

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate (CID 175810118) is tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate is Cn1cc(-c2cc(-c3ccc(C4CNCCN4C(=O)OC(C)(C)C)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is DDPRRISAZUDIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-26(2,3)36-25(35)33-8-7-28-14-23(33)22-6-5-17(11-29-22)21-9-18(20-13-30-32(4)15-20)16-34-24(21)19(10-27)12-31-34/h5-6,9,11-13,15-16,23,28H,7-8,14H2,1-4H3.
What are the key properties of tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 484.56 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 175810118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).