N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide

C23H25N5OS — CID 10477182

IUPACN-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)cs1
InChIInChI=1S/C23H25N5OS/c1-3-27(4-2)11-10-24-23(29)21-12-18(16-30-21)19-13-25-22-20(14-26-28(22)15-19)17-8-6-5-7-9-17/h5-9,12-16H,3-4,10-11H2,1-2H3,(H,24,29)
InChIKeyAUIFNPCDAAWTQR-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.20
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide

N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide (PubChem CID 10477182) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
PubChem CID10477182
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC NameN-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)cs1
InChIInChI=1S/C23H25N5OS/c1-3-27(4-2)11-10-24-23(29)21-12-18(16-30-21)19-13-25-22-20(14-26-28(22)15-19)17-8-6-5-7-9-17/h5-9,12-16H,3-4,10-11H2,1-2H3,(H,24,29)
InChIKeyAUIFNPCDAAWTQR-UHFFFAOYSA-N
XLogP4.20
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
CID 10433757
N-(3-indol-1-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
CID 10028021
N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820328
4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 59604033
[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium
CID 59604043
N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 59604024
N-butyl-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59495087
4-[6-(6-acetamido-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 59603928
N-cyclopropyl-4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 24758311
N-[(1R,2S)-2-amino-3,3,3-trifluoro-1-phenylpropyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603903
N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820315
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 59603852

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide (CID 10477182) is N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)cs1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide?
The InChIKey is AUIFNPCDAAWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-3-27(4-2)11-10-24-23(29)21-12-18(16-30-21)19-13-25-22-20(14-26-28(22)15-19)17-8-6-5-7-9-17/h5-9,12-16H,3-4,10-11H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide?
N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 10477182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).