3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide

C20H20N6O2S — CID 154807543

IUPAC3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide
SMILESCCc1c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)[nH]c(C)c1C(N)=O
InChIInChI=1S/C20H20N6O2S/c1-4-11-14(17(21)27)9(2)24-16(11)19(28)26-20-25-15(10(3)29-20)13-8-23-18-12(13)6-5-7-22-18/h5-8,24H,4H2,1-3H3,(H2,21,27)(H,22,23)(H,25,26,28)
InChIKeyVVHGEWBDZDNTPZ-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.54
Rot. Bonds5

About 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide

3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide (PubChem CID 154807543) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide
PubChem CID154807543
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide
SMILESCCc1c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)[nH]c(C)c1C(N)=O
InChIInChI=1S/C20H20N6O2S/c1-4-11-14(17(21)27)9(2)24-16(11)19(28)26-20-25-15(10(3)29-20)13-8-23-18-12(13)6-5-7-22-18/h5-8,24H,4H2,1-3H3,(H2,21,27)(H,22,23)(H,25,26,28)
InChIKeyVVHGEWBDZDNTPZ-UHFFFAOYSA-N
XLogP3.54
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide with MolForge

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Related Compounds

6-cyclopropyl-3-methyl-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166192828
4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47265101
4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47278434
N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 57421983
ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 141399754
4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide
CID 112838931
5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 127049686
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164369
2-chloro-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 34460359
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(2,3-dimethyl-1H-indol-5-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 55552636
(2R)-2-amino-3,3-dimethyl-N-[5-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]butanamide
CID 165404810

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide (CID 154807543) is 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide is CCc1c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)[nH]c(C)c1C(N)=O.
What is the InChIKey of 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is VVHGEWBDZDNTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-4-11-14(17(21)27)9(2)24-16(11)19(28)26-20-25-15(10(3)29-20)13-8-23-18-12(13)6-5-7-22-18/h5-8,24H,4H2,1-3H3,(H2,21,27)(H,22,23)(H,25,26,28).
What are the key properties of 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide?
3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 408.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-2-N-[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 154807543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).