tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane

C23H31N5O3 — CID 144728071

IUPACtert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane
SMILESCC.Cc1cnn2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cnc12
InChIInChI=1S/C21H25N5O3.C2H6/c1-14-9-24-26-12-15(10-23-19(14)26)18-6-5-16(11-22-18)28-17-7-8-25(13-17)20(27)29-21(2,3)4;1-2/h5-6,9-12,17H,7-8,13H2,1-4H3;1-2H3
InChIKeyWNDAPDSSOHHHKD-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.51
Rot. Bonds3

About tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane

tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane (PubChem CID 144728071) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane
PubChem CID144728071
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Nametert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane
SMILESCC.Cc1cnn2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cnc12
InChIInChI=1S/C21H25N5O3.C2H6/c1-14-9-24-26-12-15(10-23-19(14)26)18-6-5-16(11-22-18)28-17-7-8-25(13-17)20(27)29-21(2,3)4;1-2/h5-6,9-12,17H,7-8,13H2,1-4H3;1-2H3
InChIKeyWNDAPDSSOHHHKD-UHFFFAOYSA-N
XLogP4.51
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
tert-butyl (3S)-3-[(5-phenylmethoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134579999
tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357
tert-butyl 3-[4-(2,3-dihydroxypropylamino)phenoxy]pyrrolidine-1-carboxylate
CID 168593612
tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
CID 58180454

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane (CID 144728071) is tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane is CC.Cc1cnn2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cn3)cnc12.
What is the InChIKey of tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane?
The InChIKey is WNDAPDSSOHHHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3.C2H6/c1-14-9-24-26-12-15(10-23-19(14)26)18-6-5-16(11-22-18)28-17-7-8-25(13-17)20(27)29-21(2,3)4;1-2/h5-6,9-12,17H,7-8,13H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane?
tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane has a molecular weight of 425.53 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate;ethane is sourced from PubChem (CID 144728071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).