N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide

C23H24N6O3S — CID 25226483

IUPACN-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)nc1
InChIInChI=1S/C23H24N6O3S/c1-14(2)33(31,32)19-7-5-4-6-17(19)27-18-12-21(29-22-16(18)10-11-25-22)28-20-9-8-15(13-26-20)23(30)24-3/h4-14H,1-3H3,(H,24,30)(H3,25,26,27,28,29)
InChIKeyINAFQGYNNQIERK-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.99
Rot. Bonds7

About N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide

N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide (PubChem CID 25226483) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide
PubChem CID25226483
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC NameN-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)nc1
InChIInChI=1S/C23H24N6O3S/c1-14(2)33(31,32)19-7-5-4-6-17(19)27-18-12-21(29-22-16(18)10-11-25-22)28-20-9-8-15(13-26-20)23(30)24-3/h4-14H,1-3H3,(H,24,30)(H3,25,26,27,28,29)
InChIKeyINAFQGYNNQIERK-UHFFFAOYSA-N
XLogP3.99
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide (CID 25226483) is N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide is CNC(=O)c1ccc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)nc1.
What is the InChIKey of N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide?
The InChIKey is INAFQGYNNQIERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-14(2)33(31,32)19-7-5-4-6-17(19)27-18-12-21(29-22-16(18)10-11-25-22)28-20-9-8-15(13-26-20)23(30)24-3/h4-14H,1-3H3,(H,24,30)(H3,25,26,27,28,29).
What are the key properties of N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide?
N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 25226483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).