N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C27H33N7O2S — CID 134539877

IUPACN-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCOCC2)c1
InChIInChI=1S/C27H33N7O2S/c1-4-32(5-2)19(3)17-28-27(35)20-15-23(30-25(16-20)33-10-12-36-13-11-33)21-18-29-34-9-8-22(31-26(21)34)24-7-6-14-37-24/h6-9,14-16,18-19H,4-5,10-13,17H2,1-3H3,(H,28,35)/t19-/m0/s1
InChIKeyFYHZELWOVJKBPP-IBGZPJMESA-N
MW519.68 g/mol
LogP3.82
Rot. Bonds9

About N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539877) has the molecular formula C27H33N7O2S and a molecular weight of 519.68 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539877
Molecular FormulaC27H33N7O2S
Molecular Weight519.68 g/mol
Exact Mass519.24
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCOCC2)c1
InChIInChI=1S/C27H33N7O2S/c1-4-32(5-2)19(3)17-28-27(35)20-15-23(30-25(16-20)33-10-12-36-13-11-33)21-18-29-34-9-8-22(31-26(21)34)24-7-6-14-37-24/h6-9,14-16,18-19H,4-5,10-13,17H2,1-3H3,(H,28,35)/t19-/m0/s1
InChIKeyFYHZELWOVJKBPP-IBGZPJMESA-N
XLogP3.82
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.68
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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Temuterkib
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Jqez5
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N-[(1R,2S)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
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Mark-IN-4
CID 68776463
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]thiophene-3-carboxamide
CID 89913832
(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
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US10100058, Example 162
CID 134539487
US10100058, Example 108
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US10100058, Example 4
CID 134539764
US10100058, Example 229
CID 134539886

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539877) is N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCOCC2)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is FYHZELWOVJKBPP-IBGZPJMESA-N. The full InChI is InChI=1S/C27H33N7O2S/c1-4-32(5-2)19(3)17-28-27(35)20-15-23(30-25(16-20)33-10-12-36-13-11-33)21-18-29-34-9-8-22(31-26(21)34)24-7-6-14-37-24/h6-9,14-16,18-19H,4-5,10-13,17H2,1-3H3,(H,28,35)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 519.68 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-morpholin-4-yl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).