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

C26H31N7O3S2 — CID 134539900

IUPAC2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(NS(=O)(=O)C2CC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C26H31N7O3S2/c1-4-32(5-2)17(3)15-27-26(34)18-13-22(29-24(14-18)31-38(35,36)19-8-9-19)20-16-28-33-11-10-21(30-25(20)33)23-7-6-12-37-23/h6-7,10-14,16-17,19H,4-5,8-9,15H2,1-3H3,(H,27,34)(H,29,31)/t17-/m0/s1
InChIKeyBBFZMGZMDDOOSI-KRWDZBQOSA-N
MW553.71 g/mol
LogP3.88
Rot. Bonds11

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

2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539900) has the molecular formula C26H31N7O3S2 and a molecular weight of 553.71 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539900
Molecular FormulaC26H31N7O3S2
Molecular Weight553.71 g/mol
Exact Mass553.19
IUPAC Name2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(NS(=O)(=O)C2CC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C26H31N7O3S2/c1-4-32(5-2)17(3)15-27-26(34)18-13-22(29-24(14-18)31-38(35,36)19-8-9-19)20-16-28-33-11-10-21(30-25(20)33)23-7-6-12-37-23/h6-7,10-14,16-17,19H,4-5,8-9,15H2,1-3H3,(H,27,34)(H,29,31)/t17-/m0/s1
InChIKeyBBFZMGZMDDOOSI-KRWDZBQOSA-N
XLogP3.88
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.71
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539900) is 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(NS(=O)(=O)C2CC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is BBFZMGZMDDOOSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H31N7O3S2/c1-4-32(5-2)17(3)15-27-26(34)18-13-22(29-24(14-18)31-38(35,36)19-8-9-19)20-16-28-33-11-10-21(30-25(20)33)23-7-6-12-37-23/h6-7,10-14,16-17,19H,4-5,8-9,15H2,1-3H3,(H,27,34)(H,29,31)/t17-/m0/s1.
What are the key properties of 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 553.71 g/mol, XLogP of 3.88, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).