2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide

C22H21N5O — CID 141184049

IUPAC2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cc3nccc(-c4ccccc4)n3n2)ccn1
InChIInChI=1S/C22H21N5O/c1-22(2,3)21(28)25-19-13-16(9-11-23-19)17-14-20-24-12-10-18(27(20)26-17)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,25,28)
InChIKeySOKHGFLPDLTEGQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.44
Rot. Bonds3

About 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide

2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide (PubChem CID 141184049) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide
PubChem CID141184049
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cc3nccc(-c4ccccc4)n3n2)ccn1
InChIInChI=1S/C22H21N5O/c1-22(2,3)21(28)25-19-13-16(9-11-23-19)17-14-20-24-12-10-18(27(20)26-17)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,25,28)
InChIKeySOKHGFLPDLTEGQ-UHFFFAOYSA-N
XLogP4.44
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide (CID 141184049) is 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1cc(-c2cc3nccc(-c4ccccc4)n3n2)ccn1.
What is the InChIKey of 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide?
The InChIKey is SOKHGFLPDLTEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-22(2,3)21(28)25-19-13-16(9-11-23-19)17-14-20-24-12-10-18(27(20)26-17)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,25,28).
What are the key properties of 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide?
2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide has a molecular weight of 371.44 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 141184049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).