7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H25N7O — CID 146560585

IUPAC7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C26H25N7O/c1-32(16-17-7-3-2-4-8-17)23-13-22(20-14-28-24-19(20)11-6-12-27-24)31-25-21(15-29-33(23)25)26(34)30-18-9-5-10-18/h2-4,6-8,11-15,18H,5,9-10,16H2,1H3,(H,27,28)(H,30,34)
InChIKeyNOGSOLFQXUOSEN-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.19
Rot. Bonds6

About 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560585) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560585
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C26H25N7O/c1-32(16-17-7-3-2-4-8-17)23-13-22(20-14-28-24-19(20)11-6-12-27-24)31-25-21(15-29-33(23)25)26(34)30-18-9-5-10-18/h2-4,6-8,11-15,18H,5,9-10,16H2,1H3,(H,27,28)(H,30,34)
InChIKeyNOGSOLFQXUOSEN-UHFFFAOYSA-N
XLogP4.19
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560585) is 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)nc2c(C(=O)NC3CCC3)cnn12.
What is the InChIKey of 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NOGSOLFQXUOSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-32(16-17-7-3-2-4-8-17)23-13-22(20-14-28-24-19(20)11-6-12-27-24)31-25-21(15-29-33(23)25)26(34)30-18-9-5-10-18/h2-4,6-8,11-15,18H,5,9-10,16H2,1H3,(H,27,28)(H,30,34).
What are the key properties of 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-N-cyclobutyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).