About tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine
tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine (PubChem CID 161453816) has the molecular formula C107H124Cl2N20O7
and a molecular weight of 1873.21 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine.
Analyze tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine?
The IUPAC name of tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine (CID 161453816) is tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine.
What is the SMILES notation for tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine?
The canonical SMILES for tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine is C.C.CCC[C@@H](C)CN.CCN(C(=O)OC(C)(C)C)[C@@H](C)CCC(=O)c1cc(Cl)nc(-c2cnn3ccc(-c4ccccc4)nc23)c1.CCN[C@@H](C)CCC(=O)c1cc(CC)nc(-c2cnn3ccc(-c4ccccc4)nc23)c1.CCN[C@@H](C)CCC(=O)c1cc(CC)nc(-c2cnn3ccc(-c4ccccc4)nc23)c1.O=C(O)c1cc(Cl)nc(-c2cnn3ccc(-c4ccccc4)nc23)c1.
What is the InChIKey of tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine?
The InChIKey is WAWOZBKJSSVBRD-MCYMYXRKSA-N. The full InChI is InChI=1S/C29H32ClN5O3.2C26H29N5O.C18H11ClN4O2.C6H15N.2CH4/c1-6-34(28(37)38-29(3,4)5)19(2)12-13-25(36)21-16-24(32-26(30)17-21)22-18-31-35-15-14-23(33-27(22)35)20-10-8-7-9-11-20;2*1-4-21-15-20(25(32)12-11-18(3)27-5-2)16-24(29-21)22-17-28-31-14-13-23(30-26(22)31)19-9-7-6-8-10-19;19-16-9-12(18(24)25)8-15(21-16)13-10-20-23-7-6-14(22-17(13)23)11-4-2-1-3-5-11;1-3-4-6(2)5-7;;/h7-11,14-19H,6,12-13H2,1-5H3;2*6-10,13-18,27H,4-5,11-12H2,1-3H3;1-10H,(H,24,25);6H,3-5,7H2,1-2H3;2*1H4/t19-;2*18-;;6-;;/m000.1../s1.
What are the key properties of tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine?
tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine has a molecular weight of 1873.21 g/mol, XLogP of 23.15, 32 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;bis((4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);methane;(2R)-2-methylpentan-1-amine is sourced from PubChem (CID 161453816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).