7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21N7O — CID 137449141

IUPAC7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(N)=O)cnn12
InChIInChI=1S/C19H21N7O/c1-10(2)25-9-14(12-5-11(3)7-22-18(12)25)15-6-16(21-4)26-19(24-15)13(8-23-26)17(20)27/h5-10,21H,1-4H3,(H2,20,27)
InChIKeyZWMMDLHPQRJNBC-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.78
Rot. Bonds4

About 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449141) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449141
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(N)=O)cnn12
InChIInChI=1S/C19H21N7O/c1-10(2)25-9-14(12-5-11(3)7-22-18(12)25)15-6-16(21-4)26-19(24-15)13(8-23-26)17(20)27/h5-10,21H,1-4H3,(H2,20,27)
InChIKeyZWMMDLHPQRJNBC-UHFFFAOYSA-N
XLogP2.78
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449141) is 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(N)=O)cnn12.
What is the InChIKey of 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZWMMDLHPQRJNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-10(2)25-9-14(12-5-11(3)7-22-18(12)25)15-6-16(21-4)26-19(24-15)13(8-23-26)17(20)27/h5-10,21H,1-4H3,(H2,20,27).
What are the key properties of 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).