N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

C19H16ClN5O — CID 141174304

IUPACN-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESClCCOc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1
InChIInChI=1S/C19H16ClN5O/c20-8-11-26-15-5-3-4-14(12-15)23-19-21-9-7-17(24-19)16-13-22-25-10-2-1-6-18(16)25/h1-7,9-10,12-13H,8,11H2,(H,21,23,24)
InChIKeyPMYKYWDDURSCLU-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.15
Rot. Bonds6

About N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (PubChem CID 141174304) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
PubChem CID141174304
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC NameN-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESClCCOc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1
InChIInChI=1S/C19H16ClN5O/c20-8-11-26-15-5-3-4-14(12-15)23-19-21-9-7-17(24-19)16-13-22-25-10-2-1-6-18(16)25/h1-7,9-10,12-13H,8,11H2,(H,21,23,24)
InChIKeyPMYKYWDDURSCLU-UHFFFAOYSA-N
XLogP4.15
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile
CID 155552177
1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)benzene-1,2,4-triamine
CID 86677313
6-pyrazolo[1,5-a]pyridin-3-yl-N-pyridin-3-ylpyridin-2-amine
CID 67372518
ethane;N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 91103828
N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539378
4-[3-(dimethylamino)azetidin-1-yl]-6-methoxy-3-N-(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 155011185
4-naphthalen-1-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine
CID 19966969
ethane;3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 91440821
4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44580824
N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide
CID 121404172
N-[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]formamide
CID 122425064
1-[3-[3-[[4-[2-(3-phenylphenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenoxy]propyl]piperidin-4-ol
CID 71104511

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (CID 141174304) is N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is ClCCOc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1.
What is the InChIKey of N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The InChIKey is PMYKYWDDURSCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-8-11-26-15-5-3-4-14(12-15)23-19-21-9-7-17(24-19)16-13-22-25-10-2-1-6-18(16)25/h1-7,9-10,12-13H,8,11H2,(H,21,23,24).
What are the key properties of N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine has a molecular weight of 365.82 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 141174304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).