N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

C26H29N7O3 — CID 19512890

IUPACN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c1C(=O)N1CCOCC1
InChIInChI=1S/C26H29N7O3/c1-5-33-24(26(35)32-10-12-36-13-11-32)22(15-27-33)29-25(34)19-14-21(23-16(2)30-31(4)17(23)3)28-20-9-7-6-8-18(19)20/h6-9,14-15H,5,10-13H2,1-4H3,(H,29,34)
InChIKeyAACCVUNYECDBIW-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.19
Rot. Bonds5

About N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512890) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512890
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c1C(=O)N1CCOCC1
InChIInChI=1S/C26H29N7O3/c1-5-33-24(26(35)32-10-12-36-13-11-32)22(15-27-33)29-25(34)19-14-21(23-16(2)30-31(4)17(23)3)28-20-9-7-6-8-18(19)20/h6-9,14-15H,5,10-13H2,1-4H3,(H,29,34)
InChIKeyAACCVUNYECDBIW-UHFFFAOYSA-N
XLogP3.19
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512877
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512734
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480868
ethyl 1-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-4-carboxylate
CID 19512858
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512854
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512896
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512890) is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is CCn1ncc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is AACCVUNYECDBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-5-33-24(26(35)32-10-12-36-13-11-32)22(15-27-33)29-25(34)19-14-21(23-16(2)30-31(4)17(23)3)28-20-9-7-6-8-18(19)20/h6-9,14-15H,5,10-13H2,1-4H3,(H,29,34).
What are the key properties of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).