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

C33H31N9OS2 — CID 134540218

IUPACN-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C33H31N9OS2/c1-4-40(5-2)21(3)18-34-33(43)22-16-27(23-19-35-41-12-10-25(38-31(23)41)29-8-6-14-44-29)37-28(17-22)24-20-36-42-13-11-26(39-32(24)42)30-9-7-15-45-30/h6-17,19-21H,4-5,18H2,1-3H3,(H,34,43)/t21-/m0/s1
InChIKeyKYBKDAGSINFEMR-NRFANRHFSA-N
MW633.81 g/mol
LogP6.42
Rot. Bonds10

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

N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134540218) has the molecular formula C33H31N9OS2 and a molecular weight of 633.81 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134540218
Molecular FormulaC33H31N9OS2
Molecular Weight633.81 g/mol
Exact Mass633.21
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C33H31N9OS2/c1-4-40(5-2)21(3)18-34-33(43)22-16-27(23-19-35-41-12-10-25(38-31(23)41)29-8-6-14-44-29)37-28(17-22)24-20-36-42-13-11-26(39-32(24)42)30-9-7-15-45-30/h6-17,19-21H,4-5,18H2,1-3H3,(H,34,43)/t21-/m0/s1
InChIKeyKYBKDAGSINFEMR-NRFANRHFSA-N
XLogP6.42
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500633.81
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134540218) is N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is KYBKDAGSINFEMR-NRFANRHFSA-N. The full InChI is InChI=1S/C33H31N9OS2/c1-4-40(5-2)21(3)18-34-33(43)22-16-27(23-19-35-41-12-10-25(38-31(23)41)29-8-6-14-44-29)37-28(17-22)24-20-36-42-13-11-26(39-32(24)42)30-9-7-15-45-30/h6-17,19-21H,4-5,18H2,1-3H3,(H,34,43)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 633.81 g/mol, XLogP of 6.42, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2,6-bis(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134540218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).