1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide

C60H54N12O3S3 — CID 157376828

IUPAC1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC(C)n1ccc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3cccnc3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3ccncc3)cc(-c3cccs3)nc21
InChIInChI=1S/3C20H18N4OS/c1-13(2)24-9-7-15-16(20(25)22-14-5-3-8-21-12-14)11-17(23-19(15)24)18-6-4-10-26-18;1-13(2)24-10-7-15-16(20(25)22-14-5-8-21-9-6-14)12-17(23-19(15)24)18-4-3-11-26-18;1-13(2)24-10-8-14-15(20(25)23-18-7-3-4-9-21-18)12-16(22-19(14)24)17-6-5-11-26-17/h3-13H,1-2H3,(H,22,25);3-13H,1-2H3,(H,21,22,25);3-13H,1-2H3,(H,21,23,25)
InChIKeyBKKOAKJZGNZXBN-UHFFFAOYSA-N
MW1087.37 g/mol
LogP14.98
Rot. Bonds12

About 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide

1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 157376828) has the molecular formula C60H54N12O3S3 and a molecular weight of 1087.37 g/mol. Its IUPAC name is 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID157376828
Molecular FormulaC60H54N12O3S3
Molecular Weight1087.37 g/mol
Exact Mass1086.36
IUPAC Name1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC(C)n1ccc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3cccnc3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3ccncc3)cc(-c3cccs3)nc21
InChIInChI=1S/3C20H18N4OS/c1-13(2)24-9-7-15-16(20(25)22-14-5-3-8-21-12-14)11-17(23-19(15)24)18-6-4-10-26-18;1-13(2)24-10-7-15-16(20(25)22-14-5-8-21-9-6-14)12-17(23-19(15)24)18-4-3-11-26-18;1-13(2)24-10-8-14-15(20(25)23-18-7-3-4-9-21-18)12-16(22-19(14)24)17-6-5-11-26-17/h3-13H,1-2H3,(H,22,25);3-13H,1-2H3,(H,21,22,25);3-13H,1-2H3,(H,21,23,25)
InChIKeyBKKOAKJZGNZXBN-UHFFFAOYSA-N
XLogP14.98
TPSA179.43 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.37
LogP ≤ 514.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137638641
Fovinaciclib
CID 132136461
1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137650463
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide
CID 90683645
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide
CID 90683863
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-b]pyridine-6-carboxamide
CID 90683873
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,4-c]pyridine-6-carboxamide
CID 90683936
4-(4-methylpiperazin-1-yl)-N-[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]benzamide
CID 117666317
US11685744, Example 81
CID 168474664
US10100058, Example 155
CID 134539809
US10100058, Example 337
CID 134540218
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26126881

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide (CID 157376828) is 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide is CC(C)n1ccc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3cccnc3)cc(-c3cccs3)nc21.CC(C)n1ccc2c(C(=O)Nc3ccncc3)cc(-c3cccs3)nc21.
What is the InChIKey of 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is BKKOAKJZGNZXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H18N4OS/c1-13(2)24-9-7-15-16(20(25)22-14-5-3-8-21-12-14)11-17(23-19(15)24)18-6-4-10-26-18;1-13(2)24-10-7-15-16(20(25)22-14-5-8-21-9-6-14)12-17(23-19(15)24)18-4-3-11-26-18;1-13(2)24-10-8-14-15(20(25)23-18-7-3-4-9-21-18)12-16(22-19(14)24)17-6-5-11-26-17/h3-13H,1-2H3,(H,22,25);3-13H,1-2H3,(H,21,22,25);3-13H,1-2H3,(H,21,23,25).
What are the key properties of 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide?
1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 1087.37 g/mol, XLogP of 14.98, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 157376828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).