2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

C19H14N6OS — CID 53233323

IUPAC2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3c[nH]c4ncccc34)cc3[nH]ncc23)cs1
InChIInChI=1S/C19H14N6OS/c1-10-23-17(9-27-10)19(26)24-15-5-11(6-16-14(15)8-22-25-16)13-7-21-18-12(13)3-2-4-20-18/h2-9H,1H3,(H,20,21)(H,22,25)(H,24,26)
InChIKeyTWNSOKBYCYKULY-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.12
Rot. Bonds3

About 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 53233323) has the molecular formula C19H14N6OS and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID53233323
Molecular FormulaC19H14N6OS
Molecular Weight374.43 g/mol
Exact Mass374.09
IUPAC Name2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3c[nH]c4ncccc34)cc3[nH]ncc23)cs1
InChIInChI=1S/C19H14N6OS/c1-10-23-17(9-27-10)19(26)24-15-5-11(6-16-14(15)8-22-25-16)13-7-21-18-12(13)3-2-4-20-18/h2-9H,1H3,(H,20,21)(H,22,25)(H,24,26)
InChIKeyTWNSOKBYCYKULY-UHFFFAOYSA-N
XLogP4.12
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (CID 53233323) is 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(-c3c[nH]c4ncccc34)cc3[nH]ncc23)cs1.
What is the InChIKey of 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is TWNSOKBYCYKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS/c1-10-23-17(9-27-10)19(26)24-15-5-11(6-16-14(15)8-22-25-16)13-7-21-18-12(13)3-2-4-20-18/h2-9H,1H3,(H,20,21)(H,22,25)(H,24,26).
What are the key properties of 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53233323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).