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

C25H30N6OS — CID 134540034

IUPACN-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1
InChIInChI=1S/C25H30N6OS/c1-5-19-13-18(25(32)26-15-17(4)30(6-2)7-3)14-22(28-19)20-16-27-31-11-10-21(29-24(20)31)23-9-8-12-33-23/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,32)/t17-/m0/s1
InChIKeyUQLHGTDYVJSPSF-KRWDZBQOSA-N
MW462.62 g/mol
LogP4.54
Rot. Bonds9

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

N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134540034) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134540034
Molecular FormulaC25H30N6OS
Molecular Weight462.62 g/mol
Exact Mass462.22
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1
InChIInChI=1S/C25H30N6OS/c1-5-19-13-18(25(32)26-15-17(4)30(6-2)7-3)14-22(28-19)20-16-27-31-11-10-21(29-24(20)31)23-9-8-12-33-23/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,32)/t17-/m0/s1
InChIKeyUQLHGTDYVJSPSF-KRWDZBQOSA-N
XLogP4.54
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134540034) is N-[(2S)-2-(diethylamino)propyl]-2-ethyl-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-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCc1cc(C(=O)NC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is UQLHGTDYVJSPSF-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H30N6OS/c1-5-19-13-18(25(32)26-15-17(4)30(6-2)7-3)14-22(28-19)20-16-27-31-11-10-21(29-24(20)31)23-9-8-12-33-23/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,32)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-ethyl-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134540034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).