methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate

C15H20FN5O3 — CID 167231384

IUPACmethyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate
SMILESCOC(=O)NCCCOCc1ccc(F)c(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C15H20FN5O3/c1-10-8-13(21-20-10)19-14-12(16)5-4-11(18-14)9-24-7-3-6-17-15(22)23-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,22)(H2,18,19,20,21)
InChIKeyFLXBIELTEYCICF-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.26
Rot. Bonds8

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

methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate (PubChem CID 167231384) has the molecular formula C15H20FN5O3 and a molecular weight of 337.36 g/mol. Its IUPAC name is methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate
PubChem CID167231384
Molecular FormulaC15H20FN5O3
Molecular Weight337.36 g/mol
Exact Mass337.16
IUPAC Namemethyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate
SMILESCOC(=O)NCCCOCc1ccc(F)c(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C15H20FN5O3/c1-10-8-13(21-20-10)19-14-12(16)5-4-11(18-14)9-24-7-3-6-17-15(22)23-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,22)(H2,18,19,20,21)
InChIKeyFLXBIELTEYCICF-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate
CID 167230965
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
tert-butyl N-[2-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]ethyl]carbamate
CID 84554176
5-chloro-2-[(1R)-1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 25169406
methyl 2-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)carbamoylamino]benzoate
CID 166226359
2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10309089
N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide
CID 68941368
2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58494467
2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
CID 84601595
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate?
The IUPAC name of methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate (CID 167231384) is methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate?
The canonical SMILES for methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate is COC(=O)NCCCOCc1ccc(F)c(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate?
The InChIKey is FLXBIELTEYCICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O3/c1-10-8-13(21-20-10)19-14-12(16)5-4-11(18-14)9-24-7-3-6-17-15(22)23-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,22)(H2,18,19,20,21).
What are the key properties of methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate?
methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate has a molecular weight of 337.36 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methoxy]propyl]carbamate is sourced from PubChem (CID 167231384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).