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

C24H28N6O2S — CID 134540068

IUPACN-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(OC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C24H28N6O2S/c1-5-29(6-2)16(3)14-25-24(31)17-12-20(27-22(13-17)32-4)18-15-26-30-10-9-19(28-23(18)30)21-8-7-11-33-21/h7-13,15-16H,5-6,14H2,1-4H3,(H,25,31)/t16-/m0/s1
InChIKeyNAEPLSOZWYVCCH-INIZCTEOSA-N
MW464.60 g/mol
LogP3.99
Rot. Bonds9

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

N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134540068) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134540068
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(OC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C24H28N6O2S/c1-5-29(6-2)16(3)14-25-24(31)17-12-20(27-22(13-17)32-4)18-15-26-30-10-9-19(28-23(18)30)21-8-7-11-33-21/h7-13,15-16H,5-6,14H2,1-4H3,(H,25,31)/t16-/m0/s1
InChIKeyNAEPLSOZWYVCCH-INIZCTEOSA-N
XLogP3.99
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134540068) is N-[(2S)-2-(diethylamino)propyl]-2-methoxy-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-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(OC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is NAEPLSOZWYVCCH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-5-29(6-2)16(3)14-25-24(31)17-12-20(27-22(13-17)32-4)18-15-26-30-10-9-19(28-23(18)30)21-8-7-11-33-21/h7-13,15-16H,5-6,14H2,1-4H3,(H,25,31)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 464.60 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-methoxy-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134540068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).