N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C22H23N5OS — CID 6620289

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1csc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)n1
InChIInChI=1S/C22H23N5OS/c1-13-12-29-22(23-13)25-19(28)11-10-18-14(2)20-16(4)26-27(21(20)24-15(18)3)17-8-6-5-7-9-17/h5-9,12H,10-11H2,1-4H3,(H,23,25,28)
InChIKeyXFYCCMRHQBTGOF-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.68
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 6620289) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID6620289
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1csc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)n1
InChIInChI=1S/C22H23N5OS/c1-13-12-29-22(23-13)25-19(28)11-10-18-14(2)20-16(4)26-27(21(20)24-15(18)3)17-8-6-5-7-9-17/h5-9,12H,10-11H2,1-4H3,(H,23,25,28)
InChIKeyXFYCCMRHQBTGOF-UHFFFAOYSA-N
XLogP4.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 6620289) is N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1csc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is XFYCCMRHQBTGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-13-12-29-22(23-13)25-19(28)11-10-18-14(2)20-16(4)26-27(21(20)24-15(18)3)17-8-6-5-7-9-17/h5-9,12H,10-11H2,1-4H3,(H,23,25,28).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 405.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 6620289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).