N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide

C17H17N4OP — CID 129189261

IUPACN-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3c(c2)c(C)nn3PC)c1
InChIInChI=1S/C17H17N4OP/c1-4-16(22)19-14-7-5-6-12(8-14)13-9-15-11(2)20-21(23-3)17(15)18-10-13/h4-10,23H,1H2,2-3H3,(H,19,22)
InChIKeyAOOYYGZUFUCCDS-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.60
Rot. Bonds4

About N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide

N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide (PubChem CID 129189261) has the molecular formula C17H17N4OP and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide
PubChem CID129189261
Molecular FormulaC17H17N4OP
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC NameN-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3c(c2)c(C)nn3PC)c1
InChIInChI=1S/C17H17N4OP/c1-4-16(22)19-14-7-5-6-12(8-14)13-9-15-11(2)20-21(23-3)17(15)18-10-13/h4-10,23H,1H2,2-3H3,(H,19,22)
InChIKeyAOOYYGZUFUCCDS-UHFFFAOYSA-N
XLogP3.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-[3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421842
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[3-[3-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 135253623
N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 149184419
N-[3-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421544
N-(2-methyl-6-propan-2-yl-3-pyridinyl)-5-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
CID 122421469
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-[3-[3-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 145127928
N-(4-propan-2-ylphenyl)-5-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
CID 122421656
N-(2-methyl-4-propan-2-ylphenyl)-5-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
CID 122421944

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide (CID 129189261) is N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cnc3c(c2)c(C)nn3PC)c1.
What is the InChIKey of N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide?
The InChIKey is AOOYYGZUFUCCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N4OP/c1-4-16(22)19-14-7-5-6-12(8-14)13-9-15-11(2)20-21(23-3)17(15)18-10-13/h4-10,23H,1H2,2-3H3,(H,19,22).
What are the key properties of N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide?
N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide has a molecular weight of 324.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 129189261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).