1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone

C22H23F2N7OS — CID 158390374

IUPAC1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
SMILESCc1sc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCC[C@@H]4C)nc3c2)nc1C(F)F
InChIInChI=1S/C22H23F2N7OS/c1-12-5-4-7-30(12)22-26-17-10-14(6-8-31(17)28-22)9-16(32)19-15(11-25-29(19)3)21-27-18(20(23)24)13(2)33-21/h6,8,10-12,20H,4-5,7,9H2,1-3H3/t12-/m0/s1
InChIKeyZALXADNSQJWMIZ-LBPRGKRZSA-N
MW471.54 g/mol
LogP4.25
Rot. Bonds6

About 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone

1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone (PubChem CID 158390374) has the molecular formula C22H23F2N7OS and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
PubChem CID158390374
Molecular FormulaC22H23F2N7OS
Molecular Weight471.54 g/mol
Exact Mass471.17
IUPAC Name1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
SMILESCc1sc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCC[C@@H]4C)nc3c2)nc1C(F)F
InChIInChI=1S/C22H23F2N7OS/c1-12-5-4-7-30(12)22-26-17-10-14(6-8-31(17)28-22)9-16(32)19-15(11-25-29(19)3)21-27-18(20(23)24)13(2)33-21/h6,8,10-12,20H,4-5,7,9H2,1-3H3/t12-/m0/s1
InChIKeyZALXADNSQJWMIZ-LBPRGKRZSA-N
XLogP4.25
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The IUPAC name of 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone (CID 158390374) is 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The canonical SMILES for 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone is Cc1sc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCC[C@@H]4C)nc3c2)nc1C(F)F.
What is the InChIKey of 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The InChIKey is ZALXADNSQJWMIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H23F2N7OS/c1-12-5-4-7-30(12)22-26-17-10-14(6-8-31(17)28-22)9-16(32)19-15(11-25-29(19)3)21-27-18(20(23)24)13(2)33-21/h6,8,10-12,20H,4-5,7,9H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone has a molecular weight of 471.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone is sourced from PubChem (CID 158390374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).