tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate

C19H25N5O3 — CID 142749949

IUPACtert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESC=CC(=O)N1CCC[C@@H](n2nc(C(=O)OC(C)(C)C)c3c(N)nccc32)C1
InChIInChI=1S/C19H25N5O3/c1-5-14(25)23-10-6-7-12(11-23)24-13-8-9-21-17(20)15(13)16(22-24)18(26)27-19(2,3)4/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H2,20,21)/t12-/m1/s1
InChIKeyUPZLKVOSQALCMG-GFCCVEGCSA-N
MW371.44 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate

tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 142749949) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID142749949
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Nametert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESC=CC(=O)N1CCC[C@@H](n2nc(C(=O)OC(C)(C)C)c3c(N)nccc32)C1
InChIInChI=1S/C19H25N5O3/c1-5-14(25)23-10-6-7-12(11-23)24-13-8-9-21-17(20)15(13)16(22-24)18(26)27-19(2,3)4/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H2,20,21)/t12-/m1/s1
InChIKeyUPZLKVOSQALCMG-GFCCVEGCSA-N
XLogP2.32
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 146608405
1-[(3S)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 170252655
tert-butyl 3-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)pyrrolidine-1-carboxylate
CID 175458913
4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(4-fluoro-2-pyridinyl)benzamide
CID 146524019
tert-butyl (3R)-3-[4-amino-3-[(6-bromo-1,3-benzoxazol-2-yl)carbamoyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142749932
1-[(3R)-3-[4-amino-3-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 71450151
1-[3-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 135219177
1-[3-[4-amino-3-[1-(4-fluorophenyl)ethenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 175180602
4-amino-3-[4-[4-(dimethylamino)phenoxy]phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 126700274
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;ethane
CID 160999909
bis(1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one);ethane
CID 162227905
tert-butyl 3-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 71222871

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate (CID 142749949) is tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate is C=CC(=O)N1CCC[C@@H](n2nc(C(=O)OC(C)(C)C)c3c(N)nccc32)C1.
What is the InChIKey of tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is UPZLKVOSQALCMG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-5-14(25)23-10-6-7-12(11-23)24-13-8-9-21-17(20)15(13)16(22-24)18(26)27-19(2,3)4/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H2,20,21)/t12-/m1/s1.
What are the key properties of tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate?
tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 142749949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).