2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide

C24H24N6O2S — CID 25124468

IUPAC2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-n3cccn3)cc2)sc1Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C24H24N6O2S/c25-23(31)20-15-21(17-5-7-19(8-6-17)30-10-2-9-26-30)33-24(20)28-22-4-1-3-18(27-22)16-29-11-13-32-14-12-29/h1-10,15H,11-14,16H2,(H2,25,31)(H,27,28)
InChIKeyABAQZGQISQMDSW-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.67
Rot. Bonds7

About 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide

2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide (PubChem CID 25124468) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
PubChem CID25124468
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-n3cccn3)cc2)sc1Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C24H24N6O2S/c25-23(31)20-15-21(17-5-7-19(8-6-17)30-10-2-9-26-30)33-24(20)28-22-4-1-3-18(27-22)16-29-11-13-32-14-12-29/h1-10,15H,11-14,16H2,(H2,25,31)(H,27,28)
InChIKeyABAQZGQISQMDSW-UHFFFAOYSA-N
XLogP3.67
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide (CID 25124468) is 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide is NC(=O)c1cc(-c2ccc(-n3cccn3)cc2)sc1Nc1cccc(CN2CCOCC2)n1.
What is the InChIKey of 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide?
The InChIKey is ABAQZGQISQMDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c25-23(31)20-15-21(17-5-7-19(8-6-17)30-10-2-9-26-30)33-24(20)28-22-4-1-3-18(27-22)16-29-11-13-32-14-12-29/h1-10,15H,11-14,16H2,(H2,25,31)(H,27,28).
What are the key properties of 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide?
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 25124468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).