tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate

C23H22Cl2N6O2 — CID 71072746

IUPACtert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1Cl)c1cc(-c2ccc(N)nc2)nc2ccnn12
InChIInChI=1S/C23H22Cl2N6O2/c1-23(2,3)33-22(32)30(13-15-4-6-16(24)10-17(15)25)21-11-18(14-5-7-19(26)27-12-14)29-20-8-9-28-31(20)21/h4-12H,13H2,1-3H3,(H2,26,27)
InChIKeyFELUCDKHLNUDEO-UHFFFAOYSA-N
MW485.38 g/mol
LogP5.62
Rot. Bonds4

About tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate

tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate (PubChem CID 71072746) has the molecular formula C23H22Cl2N6O2 and a molecular weight of 485.38 g/mol. Its IUPAC name is tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate
PubChem CID71072746
Molecular FormulaC23H22Cl2N6O2
Molecular Weight485.38 g/mol
Exact Mass484.12
IUPAC Nametert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1Cl)c1cc(-c2ccc(N)nc2)nc2ccnn12
InChIInChI=1S/C23H22Cl2N6O2/c1-23(2,3)33-22(32)30(13-15-4-6-16(24)10-17(15)25)21-11-18(14-5-7-19(26)27-12-14)29-20-8-9-28-31(20)21/h4-12H,13H2,1-3H3,(H2,26,27)
InChIKeyFELUCDKHLNUDEO-UHFFFAOYSA-N
XLogP5.62
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.38
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid
CID 68958335
tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate
CID 166529477
tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 166529619
tert-butyl N-(4-ethoxyphenyl)-N-(5-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
CID 58661890
[(4-chloro-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl acetate
CID 151937119
tert-butyl N-[(3S,4S)-1-(5-bromopyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate
CID 66856364
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047
tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 69079767
N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
CID 178067840
(2S)-2-[(2,4-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 67497383
tert-butyl N-[[5-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 122534123
tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]pyrazin-2-yl]-N-[(2,6-dichlorophenyl)methyl]carbamate
CID 154441613

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate (CID 71072746) is tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1Cl)c1cc(-c2ccc(N)nc2)nc2ccnn12.
What is the InChIKey of tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate?
The InChIKey is FELUCDKHLNUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O2/c1-23(2,3)33-22(32)30(13-15-4-6-16(24)10-17(15)25)21-11-18(14-5-7-19(26)27-12-14)29-20-8-9-28-31(20)21/h4-12H,13H2,1-3H3,(H2,26,27).
What are the key properties of tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate?
tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate has a molecular weight of 485.38 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate is sourced from PubChem (CID 71072746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).