2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide

C25H30N6O — CID 110224410

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC(Cc1ccccc1)c1nn(CC(C)C)c2ncccc12
InChIInChI=1S/C25H30N6O/c1-16(2)15-31-25-20(11-8-12-26-25)24(30-31)22(13-19-9-6-5-7-10-19)27-23(32)14-21-17(3)28-29-18(21)4/h5-12,16,22H,13-15H2,1-4H3,(H,27,32)(H,28,29)
InChIKeyBGLKYWPQTYJMGC-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.07
Rot. Bonds8

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide (PubChem CID 110224410) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide
PubChem CID110224410
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC(Cc1ccccc1)c1nn(CC(C)C)c2ncccc12
InChIInChI=1S/C25H30N6O/c1-16(2)15-31-25-20(11-8-12-26-25)24(30-31)22(13-19-9-6-5-7-10-19)27-23(32)14-21-17(3)28-29-18(21)4/h5-12,16,22H,13-15H2,1-4H3,(H,27,32)(H,28,29)
InChIKeyBGLKYWPQTYJMGC-UHFFFAOYSA-N
XLogP4.07
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide (CID 110224410) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide is Cc1n[nH]c(C)c1CC(=O)NC(Cc1ccccc1)c1nn(CC(C)C)c2ncccc12.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide?
The InChIKey is BGLKYWPQTYJMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16(2)15-31-25-20(11-8-12-26-25)24(30-31)22(13-19-9-6-5-7-10-19)27-23(32)14-21-17(3)28-29-18(21)4/h5-12,16,22H,13-15H2,1-4H3,(H,27,32)(H,28,29).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide has a molecular weight of 430.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide is sourced from PubChem (CID 110224410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).