N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C23H24N6OS — CID 134539804

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C23H24N6OS/c1-2-28-10-3-5-17(28)14-25-23(30)16-7-9-24-20(13-16)18-15-26-29-11-8-19(27-22(18)29)21-6-4-12-31-21/h4,6-9,11-13,15,17H,2-3,5,10,14H2,1H3,(H,25,30)/t17-/m0/s1
InChIKeyJBVMBAOZYQMABT-KRWDZBQOSA-N
MW432.55 g/mol
LogP3.73
Rot. Bonds6

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539804) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539804
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C23H24N6OS/c1-2-28-10-3-5-17(28)14-25-23(30)16-7-9-24-20(13-16)18-15-26-29-11-8-19(27-22(18)29)21-6-4-12-31-21/h4,6-9,11-13,15,17H,2-3,5,10,14H2,1H3,(H,25,30)/t17-/m0/s1
InChIKeyJBVMBAOZYQMABT-KRWDZBQOSA-N
XLogP3.73
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539804) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN1CCC[C@H]1CNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is JBVMBAOZYQMABT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-2-28-10-3-5-17(28)14-25-23(30)16-7-9-24-20(13-16)18-15-26-29-11-8-19(27-22(18)29)21-6-4-12-31-21/h4,6-9,11-13,15,17H,2-3,5,10,14H2,1H3,(H,25,30)/t17-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).