tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C17H20FN3O2 — CID 168902365

IUPACtert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2cc(F)c3[nH]ncc3c2)CC1
InChIInChI=1S/C17H20FN3O2/c1-17(2,3)23-16(22)21-6-4-11(5-7-21)12-8-13-10-19-20-15(13)14(18)9-12/h4,8-10H,5-7H2,1-3H3,(H,19,20)
InChIKeyNAGHHTYNDMONGD-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.73
Rot. Bonds1

About tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 168902365) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID168902365
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Nametert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2cc(F)c3[nH]ncc3c2)CC1
InChIInChI=1S/C17H20FN3O2/c1-17(2,3)23-16(22)21-6-4-11(5-7-21)12-8-13-10-19-20-15(13)14(18)9-12/h4,8-10H,5-7H2,1-3H3,(H,19,20)
InChIKeyNAGHHTYNDMONGD-UHFFFAOYSA-N
XLogP3.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170340824
tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate
CID 168902473
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
tert-butyl 4-(5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70915305
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-(5-fluoro-2,4-dihydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 67422663
tert-butyl 4-[2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90034216
tert-butyl 4-[4-(2,2-dibromoethenyl)-3-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134362502
tert-butyl 4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18364827
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-[4-[4-cyclopropyl-5-[2-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,2,4-triazol-3-yl]-3-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170665255

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 168902365) is tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2cc(F)c3[nH]ncc3c2)CC1.
What is the InChIKey of tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is NAGHHTYNDMONGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-17(2,3)23-16(22)21-6-4-11(5-7-21)12-8-13-10-19-20-15(13)14(18)9-12/h4,8-10H,5-7H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 317.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 168902365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).