tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane

C23H34N6O2S — CID 143439987

IUPACtert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane
SMILESCC.Cc1cc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(C)cnn23)sn1
InChIInChI=1S/C21H28N6O2S.C2H6/c1-13-11-22-27-17(24-18-9-14(2)25-30-18)10-16(23-19(13)27)15-7-6-8-26(12-15)20(28)29-21(3,4)5;1-2/h9-11,15,24H,6-8,12H2,1-5H3;1-2H3
InChIKeyUJZFFZUYNYFVPV-UHFFFAOYSA-N
MW458.63 g/mol
LogP5.69
Rot. Bonds3

About tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane

tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane (PubChem CID 143439987) has the molecular formula C23H34N6O2S and a molecular weight of 458.63 g/mol. Its IUPAC name is tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane
PubChem CID143439987
Molecular FormulaC23H34N6O2S
Molecular Weight458.63 g/mol
Exact Mass458.25
IUPAC Nametert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane
SMILESCC.Cc1cc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(C)cnn23)sn1
InChIInChI=1S/C21H28N6O2S.C2H6/c1-13-11-22-27-17(24-18-9-14(2)25-30-18)10-16(23-19(13)27)15-7-6-8-26(12-15)20(28)29-21(3,4)5;1-2/h9-11,15,24H,6-8,12H2,1-5H3;1-2H3
InChIKeyUJZFFZUYNYFVPV-UHFFFAOYSA-N
XLogP5.69
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 157123021
tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 71102619
tert-butyl 3-[3-bromo-7-(4-imidazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 58604289
tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 91331966
tert-butyl 3-(3-bromo-7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;tert-butyl 3-(3-bromo-7-methoxypyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 161488537
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-[7-(2-morpholin-4-ylethylamino)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 71108668
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CID 124518617
tert-butyl (3S)-3-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxylate
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tert-butyl 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 118472590
(E)-1-[3-[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 70806492
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane (CID 143439987) is tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane is CC.Cc1cc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(C)cnn23)sn1.
What is the InChIKey of tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane?
The InChIKey is UJZFFZUYNYFVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S.C2H6/c1-13-11-22-27-17(24-18-9-14(2)25-30-18)10-16(23-19(13)27)15-7-6-8-26(12-15)20(28)29-21(3,4)5;1-2/h9-11,15,24H,6-8,12H2,1-5H3;1-2H3.
What are the key properties of tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane?
tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane has a molecular weight of 458.63 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 143439987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).