2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C21H17N9O — CID 121280702

IUPAC2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCn1nccc1-c1ncnc2c1ccn2CC(=O)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C21H17N9O/c1-29-17(4-6-27-29)20-15-5-9-30(21(15)26-13-25-20)12-19(31)28-18-3-2-14(10-24-18)16-11-22-7-8-23-16/h2-11,13H,12H2,1H3,(H,24,28,31)
InChIKeyIHWUNRITCVVDFL-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280702) has the molecular formula C21H17N9O and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280702
Molecular FormulaC21H17N9O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCn1nccc1-c1ncnc2c1ccn2CC(=O)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C21H17N9O/c1-29-17(4-6-27-29)20-15-5-9-30(21(15)26-13-25-20)12-19(31)28-18-3-2-14(10-24-18)16-11-22-7-8-23-16/h2-11,13H,12H2,1H3,(H,24,28,31)
InChIKeyIHWUNRITCVVDFL-UHFFFAOYSA-N
XLogP2.32
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280702) is 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cn1nccc1-c1ncnc2c1ccn2CC(=O)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is IHWUNRITCVVDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O/c1-29-17(4-6-27-29)20-15-5-9-30(21(15)26-13-25-20)12-19(31)28-18-3-2-14(10-24-18)16-11-22-7-8-23-16/h2-11,13H,12H2,1H3,(H,24,28,31).
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 411.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).