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

C24H25N5O2S — CID 10433757

IUPACN-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)cs1
InChIInChI=1S/C24H25N5O2S/c30-24(25-7-4-8-28-9-11-31-12-10-28)22-13-19(17-32-22)20-14-26-23-21(15-27-29(23)16-20)18-5-2-1-3-6-18/h1-3,5-6,13-17H,4,7-12H2,(H,25,30)
InChIKeyDYYUVYPXAYGQFQ-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.58
Rot. Bonds7

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

N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide (PubChem CID 10433757) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
PubChem CID10433757
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)cs1
InChIInChI=1S/C24H25N5O2S/c30-24(25-7-4-8-28-9-11-31-12-10-28)22-13-19(17-32-22)20-14-26-23-21(15-27-29(23)16-20)18-5-2-1-3-6-18/h1-3,5-6,13-17H,4,7-12H2,(H,25,30)
InChIKeyDYYUVYPXAYGQFQ-UHFFFAOYSA-N
XLogP3.58
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59495087
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 68775357
N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 10091411
N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748
N-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298706
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602326
N-cyclopropyl-4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 24758311
5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 95856416
N-(3-morpholin-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 17465579
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide (CID 10433757) is N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)cs1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide?
The InChIKey is DYYUVYPXAYGQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c30-24(25-7-4-8-28-9-11-31-12-10-28)22-13-19(17-32-22)20-14-26-23-21(15-27-29(23)16-20)18-5-2-1-3-6-18/h1-3,5-6,13-17H,4,7-12H2,(H,25,30).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 10433757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).