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

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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).