2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide

C20H22FN5O2 — CID 90644194

IUPAC2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(-c2cn(C)nc2C)cnc1N
InChIInChI=1S/C20H22FN5O2/c1-11-17(10-26(4)25-11)13-7-18(19(22)24-9-13)28-12(2)16-8-14(21)5-6-15(16)20(27)23-3/h5-10,12H,1-4H3,(H2,22,24)(H,23,27)/t12-/m1/s1
InChIKeyWKWCRLSGXLINPN-GFCCVEGCSA-N
MW383.43 g/mol
LogP3.01
Rot. Bonds5

About 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide

2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide (PubChem CID 90644194) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide
PubChem CID90644194
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(-c2cn(C)nc2C)cnc1N
InChIInChI=1S/C20H22FN5O2/c1-11-17(10-26(4)25-11)13-7-18(19(22)24-9-13)28-12(2)16-8-14(21)5-6-15(16)20(27)23-3/h5-10,12H,1-4H3,(H2,22,24)(H,23,27)/t12-/m1/s1
InChIKeyWKWCRLSGXLINPN-GFCCVEGCSA-N
XLogP3.01
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide with MolForge

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Related Compounds

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(10r)-7-Amino-3-Cyclopropyl-12-Fluoro-1,10,16-Trimethyl-16,17-Dihydro-1h-8,4-(Metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecin-15(10h)-One
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(10r)-7-Amino-12-Fluoro-1,3,10,16-Tetramethyl-16,17-Dihydro-1h-8,4-(Metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecin-15(10h)-One
CID 90644193
19-Amino-13-fluoro-3,5,8-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one
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14-Fluoro-3-methyl-10,18-dioxa-3,4,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2(6),4,11(16),12,14,19,21-octaen-20-amine
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(16R)-19-amino-13-fluoro-3-methoxy-5,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide (CID 90644194) is 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide is CNC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(-c2cn(C)nc2C)cnc1N.
What is the InChIKey of 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is WKWCRLSGXLINPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-11-17(10-26(4)25-11)13-7-18(19(22)24-9-13)28-12(2)16-8-14(21)5-6-15(16)20(27)23-3/h5-10,12H,1-4H3,(H2,22,24)(H,23,27)/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide?
2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide has a molecular weight of 383.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 90644194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).