7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C24H21N7O2 — CID 90683934

IUPAC7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cccc2cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nn12
InChIInChI=1S/C24H21N7O2/c1-14(2)30-12-20(19-11-26-13-27-23(19)30)22(32)16-7-17(10-25-9-16)28-24(33)21-8-18-6-4-5-15(3)31(18)29-21/h4-14H,1-3H3,(H,28,33)
InChIKeyXKNXGTPXGYDBGF-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.85
Rot. Bonds5

About 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide

7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 90683934) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID90683934
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cccc2cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nn12
InChIInChI=1S/C24H21N7O2/c1-14(2)30-12-20(19-11-26-13-27-23(19)30)22(32)16-7-17(10-25-9-16)28-24(33)21-8-18-6-4-5-15(3)31(18)29-21/h4-14H,1-3H3,(H,28,33)
InChIKeyXKNXGTPXGYDBGF-UHFFFAOYSA-N
XLogP3.85
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 90683934) is 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide is Cc1cccc2cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nn12.
What is the InChIKey of 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is XKNXGTPXGYDBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-14(2)30-12-20(19-11-26-13-27-23(19)30)22(32)16-7-17(10-25-9-16)28-24(33)21-8-18-6-4-5-15(3)31(18)29-21/h4-14H,1-3H3,(H,28,33).
What are the key properties of 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 90683934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).