[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone

C26H33N5O2 — CID 92638888

IUPAC[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1[nH]ncc1CN1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1
InChIInChI=1S/C26H33N5O2/c1-26(2,3)24-19(15-27-29-24)17-30-9-8-18(16-30)23-14-21(20-6-4-5-7-22(20)28-23)25(32)31-10-12-33-13-11-31/h4-7,14-15,18H,8-13,16-17H2,1-3H3,(H,27,29)/t18-/m1/s1
InChIKeyYMUWBCHEVVTFEW-GOSISDBHSA-N
MW447.58 g/mol
LogP3.72
Rot. Bonds4

About [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone

[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 92638888) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID92638888
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1[nH]ncc1CN1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1
InChIInChI=1S/C26H33N5O2/c1-26(2,3)24-19(15-27-29-24)17-30-9-8-18(16-30)23-14-21(20-6-4-5-7-22(20)28-23)25(32)31-10-12-33-13-11-31/h4-7,14-15,18H,8-13,16-17H2,1-3H3,(H,27,29)/t18-/m1/s1
InChIKeyYMUWBCHEVVTFEW-GOSISDBHSA-N
XLogP3.72
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
[2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 110251874
morpholin-4-yl-[2-[(2S)-4-propylmorpholin-2-yl]quinolin-4-yl]methanone
CID 92639103
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795
[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 60504469
(2-cyclopropylquinolin-4-yl)-[(6S)-6-hydroxy-1,4-oxazepan-4-yl]methanone
CID 97434231
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110082993
[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 92638405
(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
CID 17473888
morpholin-4-yl-(2-morpholin-2-ylquinolin-4-yl)methanone
CID 110089333

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone (CID 92638888) is [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone is CC(C)(C)c1[nH]ncc1CN1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1.
What is the InChIKey of [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YMUWBCHEVVTFEW-GOSISDBHSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-26(2,3)24-19(15-27-29-24)17-30-9-8-18(16-30)23-14-21(20-6-4-5-7-22(20)28-23)25(32)31-10-12-33-13-11-31/h4-7,14-15,18H,8-13,16-17H2,1-3H3,(H,27,29)/t18-/m1/s1.
What are the key properties of [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone?
[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 447.58 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92638888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).