tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate

C17H24FN5O4 — CID 164938410

IUPACtert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate
SMILESCOc1cncc(OC[C@H](F)CNC(=O)OC(C)(C)C)c1-c1cc(N)n[nH]1
InChIInChI=1S/C17H24FN5O4/c1-17(2,3)27-16(24)21-6-10(18)9-26-13-8-20-7-12(25-4)15(13)11-5-14(19)23-22-11/h5,7-8,10H,6,9H2,1-4H3,(H,21,24)(H3,19,22,23)/t10-/m1/s1
InChIKeyPTNMTWOMXIWISX-SNVBAGLBSA-N
MW381.41 g/mol
LogP2.30
Rot. Bonds7

About tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate

tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate (PubChem CID 164938410) has the molecular formula C17H24FN5O4 and a molecular weight of 381.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate
PubChem CID164938410
Molecular FormulaC17H24FN5O4
Molecular Weight381.41 g/mol
Exact Mass381.18
IUPAC Nametert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate
SMILESCOc1cncc(OC[C@H](F)CNC(=O)OC(C)(C)C)c1-c1cc(N)n[nH]1
InChIInChI=1S/C17H24FN5O4/c1-17(2,3)27-16(24)21-6-10(18)9-26-13-8-20-7-12(25-4)15(13)11-5-14(19)23-22-11/h5,7-8,10H,6,9H2,1-4H3,(H,21,24)(H3,19,22,23)/t10-/m1/s1
InChIKeyPTNMTWOMXIWISX-SNVBAGLBSA-N
XLogP2.30
TPSA124.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 164938342
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CID 164938399
tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-1,5-naphthyridin-3-yl]oxymethyl]-3,3-difluorocyclobutyl]methyl]carbamate
CID 177118408
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[5-(3-amino-1H-pyrazol-5-yl)-2-fluorophenyl]carbamate
CID 117471970
tert-butyl N-[[1-[[7-(3-amino-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]methyl]carbamate
CID 177118375
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754
tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
CID 99909254
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[(6,7-dimethoxyisoquinolin-1-yl)methyl]carbamate
CID 141101320
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate (CID 164938410) is tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate is COc1cncc(OC[C@H](F)CNC(=O)OC(C)(C)C)c1-c1cc(N)n[nH]1.
What is the InChIKey of tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate?
The InChIKey is PTNMTWOMXIWISX-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H24FN5O4/c1-17(2,3)27-16(24)21-6-10(18)9-26-13-8-20-7-12(25-4)15(13)11-5-14(19)23-22-11/h5,7-8,10H,6,9H2,1-4H3,(H,21,24)(H3,19,22,23)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate?
tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate has a molecular weight of 381.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate is sourced from PubChem (CID 164938410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).