methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate

C15H20FN5O3 — CID 167230965

IUPACmethyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate
SMILESCOC(=O)NCCCCOc1ccc(F)c(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C15H20FN5O3/c1-10-9-12(21-20-10)18-14-11(16)5-6-13(19-14)24-8-4-3-7-17-15(22)23-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,22)(H2,18,19,20,21)
InChIKeyVZFHYNCLYVRBHY-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.51
Rot. Bonds8

About methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate

methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate (PubChem CID 167230965) has the molecular formula C15H20FN5O3 and a molecular weight of 337.36 g/mol. Its IUPAC name is methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate
PubChem CID167230965
Molecular FormulaC15H20FN5O3
Molecular Weight337.36 g/mol
Exact Mass337.16
IUPAC Namemethyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate
SMILESCOC(=O)NCCCCOc1ccc(F)c(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C15H20FN5O3/c1-10-9-12(21-20-10)18-14-11(16)5-6-13(19-14)24-8-4-3-7-17-15(22)23-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,22)(H2,18,19,20,21)
InChIKeyVZFHYNCLYVRBHY-UHFFFAOYSA-N
XLogP2.51
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate
CID 167231384
methyl N-[3-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carbonyl]amino]propyl]carbamate
CID 167230439
5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 68947236
3-fluoro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 175886124
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethanamine
CID 81342156
tert-butyl N-[2-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]ethyl]carbamate
CID 84554176
tert-butyl N-[4-(1H-pyrazol-5-yloxy)butyl]carbamate
CID 164885813
methyl 2-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)carbamoylamino]benzoate
CID 166226359
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid
CID 70082030
3-O-methyl 5-O-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]hexyl] 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70040817

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate?
The IUPAC name of methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate (CID 167230965) is methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate.
What is the SMILES notation for methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate?
The canonical SMILES for methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate is COC(=O)NCCCCOc1ccc(F)c(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate?
The InChIKey is VZFHYNCLYVRBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O3/c1-10-9-12(21-20-10)18-14-11(16)5-6-13(19-14)24-8-4-3-7-17-15(22)23-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,22)(H2,18,19,20,21).
What are the key properties of methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate?
methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate has a molecular weight of 337.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate is sourced from PubChem (CID 167230965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).