2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C22H18N8O — CID 121280735

IUPAC2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCn1nccc1-c1ccnc2c1ccn2CC(=O)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H18N8O/c1-29-19(5-8-27-29)16-4-7-25-22-17(16)6-11-30(22)14-21(31)28-20-3-2-15(12-26-20)18-13-23-9-10-24-18/h2-13H,14H2,1H3,(H,26,28,31)
InChIKeyPBKYMUKGCGCPRU-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.93
Rot. Bonds5

About 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280735) has the molecular formula C22H18N8O and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280735
Molecular FormulaC22H18N8O
Molecular Weight410.44 g/mol
Exact Mass410.16
IUPAC Name2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCn1nccc1-c1ccnc2c1ccn2CC(=O)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H18N8O/c1-29-19(5-8-27-29)16-4-7-25-22-17(16)6-11-30(22)14-21(31)28-20-3-2-15(12-26-20)18-13-23-9-10-24-18/h2-13H,14H2,1H3,(H,26,28,31)
InChIKeyPBKYMUKGCGCPRU-UHFFFAOYSA-N
XLogP2.93
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280735) is 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cn1nccc1-c1ccnc2c1ccn2CC(=O)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is PBKYMUKGCGCPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O/c1-29-19(5-8-27-29)16-4-7-25-22-17(16)6-11-30(22)14-21(31)28-20-3-2-15(12-26-20)18-13-23-9-10-24-18/h2-13H,14H2,1H3,(H,26,28,31).
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 410.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).