N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C25H28N6O — CID 134574368

IUPACN-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCC(CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1)N(C)CC
InChIInChI=1S/C25H28N6O/c1-4-20(30(3)5-2)16-27-25(32)19-11-13-26-23(15-19)21-17-28-31-14-12-22(29-24(21)31)18-9-7-6-8-10-18/h6-15,17,20H,4-5,16H2,1-3H3,(H,27,32)
InChIKeyAQRGRSFJSZSXJH-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.92
Rot. Bonds8

About N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134574368) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134574368
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCC(CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1)N(C)CC
InChIInChI=1S/C25H28N6O/c1-4-20(30(3)5-2)16-27-25(32)19-11-13-26-23(15-19)21-17-28-31-14-12-22(29-24(21)31)18-9-7-6-8-10-18/h6-15,17,20H,4-5,16H2,1-3H3,(H,27,32)
InChIKeyAQRGRSFJSZSXJH-UHFFFAOYSA-N
XLogP3.92
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134574368) is N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCC(CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1)N(C)CC.
What is the InChIKey of N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is AQRGRSFJSZSXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-4-20(30(3)5-2)16-27-25(32)19-11-13-26-23(15-19)21-17-28-31-14-12-22(29-24(21)31)18-9-7-6-8-10-18/h6-15,17,20H,4-5,16H2,1-3H3,(H,27,32).
What are the key properties of N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]butyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134574368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).