1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide

C24H29N5O3 — CID 90460979

IUPAC1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)c(C)n1
InChIInChI=1S/C24H29N5O3/c1-5-29-15-21(17(3)26-29)23(30)25-19-7-6-16(2)20(13-19)18-12-22(24(31)27(4)14-18)28-8-10-32-11-9-28/h6-7,12-15H,5,8-11H2,1-4H3,(H,25,30)
InChIKeyFIFBYIMXNIIZCC-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.97
Rot. Bonds5

About 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide

1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide (PubChem CID 90460979) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide
PubChem CID90460979
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)c(C)n1
InChIInChI=1S/C24H29N5O3/c1-5-29-15-21(17(3)26-29)23(30)25-19-7-6-16(2)20(13-19)18-12-22(24(31)27(4)14-18)28-8-10-32-11-9-28/h6-7,12-15H,5,8-11H2,1-4H3,(H,25,30)
InChIKeyFIFBYIMXNIIZCC-UHFFFAOYSA-N
XLogP2.97
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide (CID 90460979) is 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is FIFBYIMXNIIZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-5-29-15-21(17(3)26-29)23(30)25-19-7-6-16(2)20(13-19)18-12-22(24(31)27(4)14-18)28-8-10-32-11-9-28/h6-7,12-15H,5,8-11H2,1-4H3,(H,25,30).
What are the key properties of 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide?
1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 90460979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).