N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C19H13ClF3N5OS — CID 118335323

IUPACN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C19H13ClF3N5OS/c1-10-16(30-9-25-10)18(29)26-17-15-13(20)6-24-7-14(15)28(27-17)8-11-2-4-12(5-3-11)19(21,22)23/h2-7,9H,8H2,1H3,(H,26,27,29)
InChIKeySNONYMBXBZZEGE-UHFFFAOYSA-N
MW451.86 g/mol
LogP5.17
Rot. Bonds4

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118335323) has the molecular formula C19H13ClF3N5OS and a molecular weight of 451.86 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID118335323
Molecular FormulaC19H13ClF3N5OS
Molecular Weight451.86 g/mol
Exact Mass451.05
IUPAC NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12
InChIInChI=1S/C19H13ClF3N5OS/c1-10-16(30-9-25-10)18(29)26-17-15-13(20)6-24-7-14(15)28(27-17)8-11-2-4-12(5-3-11)19(21,22)23/h2-7,9H,8H2,1H3,(H,26,27,29)
InChIKeySNONYMBXBZZEGE-UHFFFAOYSA-N
XLogP5.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.86
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 118335323) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SNONYMBXBZZEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5OS/c1-10-16(30-9-25-10)18(29)26-17-15-13(20)6-24-7-14(15)28(27-17)8-11-2-4-12(5-3-11)19(21,22)23/h2-7,9H,8H2,1H3,(H,26,27,29).
What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 451.86 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118335323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).