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

C24H29N7OS — CID 134540119

IUPACN-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(NC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C24H29N7OS/c1-5-30(6-2)16(3)14-26-24(32)17-12-20(28-22(13-17)25-4)18-15-27-31-10-9-19(29-23(18)31)21-8-7-11-33-21/h7-13,15-16H,5-6,14H2,1-4H3,(H,25,28)(H,26,32)/t16-/m0/s1
InChIKeyXPKLHRZQCSNNLA-INIZCTEOSA-N
MW463.61 g/mol
LogP4.02
Rot. Bonds9

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

N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134540119) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134540119
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(NC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C24H29N7OS/c1-5-30(6-2)16(3)14-26-24(32)17-12-20(28-22(13-17)25-4)18-15-27-31-10-9-19(29-23(18)31)21-8-7-11-33-21/h7-13,15-16H,5-6,14H2,1-4H3,(H,25,28)(H,26,32)/t16-/m0/s1
InChIKeyXPKLHRZQCSNNLA-INIZCTEOSA-N
XLogP4.02
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539928
N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134574408
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539713
N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539619
N-[(2S)-2-(diethylamino)propyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539764
N-[(2S)-2-(diethylamino)propyl]-2-(2-methoxyethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539892
N-[(2S)-2-(diethylamino)propyl]-2-(1,3-oxazol-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539753
N-[(2S)-2-(diethylamino)propyl]-2-(3,3-difluoroazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539611
N-[(2S)-2-(diethylamino)propyl]-2-[(3-pyrrolidin-1-yloxetan-3-yl)methylamino]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539525
N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide
CID 134574673
N-[(2S)-2-(diethylamino)propyl]-2-(4-hydroxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539487
N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540200

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134540119) is N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-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-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(NC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is XPKLHRZQCSNNLA-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-5-30(6-2)16(3)14-26-24(32)17-12-20(28-22(13-17)25-4)18-15-27-31-10-9-19(29-23(18)31)21-8-7-11-33-21/h7-13,15-16H,5-6,14H2,1-4H3,(H,25,28)(H,26,32)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134540119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).