4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide

C18H18N6O — CID 169419894

IUPAC4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESCc1cc(-c2c[nH]c3ncccc23)nc2cnn(CCCC(N)=O)c12
InChIInChI=1S/C18H18N6O/c1-11-8-14(13-9-21-18-12(13)4-2-6-20-18)23-15-10-22-24(17(11)15)7-3-5-16(19)25/h2,4,6,8-10H,3,5,7H2,1H3,(H2,19,25)(H,20,21)
InChIKeyTXJPIVGGXZRNCZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.55
Rot. Bonds5

About 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide

4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide (PubChem CID 169419894) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide.

Molecular Properties

Compound Name4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
PubChem CID169419894
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
SMILESCc1cc(-c2c[nH]c3ncccc23)nc2cnn(CCCC(N)=O)c12
InChIInChI=1S/C18H18N6O/c1-11-8-14(13-9-21-18-12(13)4-2-6-20-18)23-15-10-22-24(17(11)15)7-3-5-16(19)25/h2,4,6,8-10H,3,5,7H2,1H3,(H2,19,25)(H,20,21)
InChIKeyTXJPIVGGXZRNCZ-UHFFFAOYSA-N
XLogP2.55
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170506831
1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one
CID 169421839
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164369
N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 57421983
4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol
CID 25164970
ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 141399754
2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 135900228
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine
CID 53269660
3-[[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide
CID 57335986
butane;methoxycyclopentane;7-(methylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523548
4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164771
5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 167836475

Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide?
The IUPAC name of 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide (CID 169419894) is 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide.
What is the SMILES notation for 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide?
The canonical SMILES for 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide is Cc1cc(-c2c[nH]c3ncccc23)nc2cnn(CCCC(N)=O)c12.
What is the InChIKey of 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide?
The InChIKey is TXJPIVGGXZRNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-8-14(13-9-21-18-12(13)4-2-6-20-18)23-15-10-22-24(17(11)15)7-3-5-16(19)25/h2,4,6,8-10H,3,5,7H2,1H3,(H2,19,25)(H,20,21).
What are the key properties of 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide?
4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide has a molecular weight of 334.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide is sourced from PubChem (CID 169419894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).