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

C17H21N5O — CID 134811289

IUPACN-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(C)CNC(=O)Cc1c[nH]c2ncc(-c3cnn(C)c3)cc12
InChIInChI=1S/C17H21N5O/c1-11(2)6-18-16(23)5-13-8-20-17-15(13)4-12(7-19-17)14-9-21-22(3)10-14/h4,7-11H,5-6H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyAXWMAWOQXCKBDS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.28
Rot. Bonds5

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

N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 134811289) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID134811289
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(C)CNC(=O)Cc1c[nH]c2ncc(-c3cnn(C)c3)cc12
InChIInChI=1S/C17H21N5O/c1-11(2)6-18-16(23)5-13-8-20-17-15(13)4-12(7-19-17)14-9-21-22(3)10-14/h4,7-11H,5-6H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyAXWMAWOQXCKBDS-UHFFFAOYSA-N
XLogP2.28
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 134811289) is N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is CC(C)CNC(=O)Cc1c[nH]c2ncc(-c3cnn(C)c3)cc12.
What is the InChIKey of N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is AXWMAWOQXCKBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11(2)6-18-16(23)5-13-8-20-17-15(13)4-12(7-19-17)14-9-21-22(3)10-14/h4,7-11H,5-6H2,1-3H3,(H,18,23)(H,19,20).
What are the key properties of N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 134811289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).