4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine

C23H23N7OS — CID 70865265

IUPAC4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine
SMILESCc1nn2ccccc2c1-c1nc(C2=CCC(N3CCOCC3)C=C2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C23H23N7OS/c1-15-19(18-4-2-3-9-30(18)28-15)23-26-20(21(32-23)22-24-14-25-27-22)16-5-7-17(8-6-16)29-10-12-31-13-11-29/h2-7,9,14,17H,8,10-13H2,1H3,(H,24,25,27)
InChIKeyZUVRNFMKLIJSEZ-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.60
Rot. Bonds4

About 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine

4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine (PubChem CID 70865265) has the molecular formula C23H23N7OS and a molecular weight of 445.55 g/mol. Its IUPAC name is 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine
PubChem CID70865265
Molecular FormulaC23H23N7OS
Molecular Weight445.55 g/mol
Exact Mass445.17
IUPAC Name4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine
SMILESCc1nn2ccccc2c1-c1nc(C2=CCC(N3CCOCC3)C=C2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C23H23N7OS/c1-15-19(18-4-2-3-9-30(18)28-15)23-26-20(21(32-23)22-24-14-25-27-22)16-5-7-17(8-6-16)29-10-12-31-13-11-29/h2-7,9,14,17H,8,10-13H2,1H3,(H,24,25,27)
InChIKeyZUVRNFMKLIJSEZ-UHFFFAOYSA-N
XLogP3.60
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865190
4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]morpholine
CID 58095208
4-(3-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865294
[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
CID 58095101
acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 66855389
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 58095010
N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine
CID 91554596
2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 46865517
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine
CID 160558787
1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone
CID 58095278
2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 136649046
7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 46865633

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine?
The IUPAC name of 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine (CID 70865265) is 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine?
The canonical SMILES for 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine is Cc1nn2ccccc2c1-c1nc(C2=CCC(N3CCOCC3)C=C2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine?
The InChIKey is ZUVRNFMKLIJSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7OS/c1-15-19(18-4-2-3-9-30(18)28-15)23-26-20(21(32-23)22-24-14-25-27-22)16-5-7-17(8-6-16)29-10-12-31-13-11-29/h2-7,9,14,17H,8,10-13H2,1H3,(H,24,25,27).
What are the key properties of 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine?
4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine has a molecular weight of 445.55 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine is sourced from PubChem (CID 70865265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).