N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide

C22H22ClN5O — CID 46340878

IUPACN-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
SMILESCc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3cccc(Cl)c3)c2n1
InChIInChI=1S/C22H22ClN5O/c1-15-13-16(2)24-21-20(15)22(27-10-3-4-11-27)26-28(21)12-6-9-19(29)25-18-8-5-7-17(23)14-18/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,25,29)
InChIKeyYTEIDAILUGBILT-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.91
Rot. Bonds6

About N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide

N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide (PubChem CID 46340878) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
PubChem CID46340878
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC NameN-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
SMILESCc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3cccc(Cl)c3)c2n1
InChIInChI=1S/C22H22ClN5O/c1-15-13-16(2)24-21-20(15)22(27-10-3-4-11-27)26-28(21)12-6-9-19(29)25-18-8-5-7-17(23)14-18/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,25,29)
InChIKeyYTEIDAILUGBILT-UHFFFAOYSA-N
XLogP4.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 20948423
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
CID 46340909
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 20948279
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 20948437
N-[(3-chlorophenyl)methyl]-4-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzamide
CID 20948440
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 71991611
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide (CID 46340878) is N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide is Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3cccc(Cl)c3)c2n1.
What is the InChIKey of N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide?
The InChIKey is YTEIDAILUGBILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-15-13-16(2)24-21-20(15)22(27-10-3-4-11-27)26-28(21)12-6-9-19(29)25-18-8-5-7-17(23)14-18/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,25,29).
What are the key properties of N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide?
N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide has a molecular weight of 407.91 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide is sourced from PubChem (CID 46340878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).