(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide

C20H27N5O4 — CID 20604358

IUPAC(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc2c(C(=O)N3CCC[C@H]3C(N)=O)nn(CCN3CCOCC3)c12
InChIInChI=1S/C20H27N5O4/c1-28-16-6-2-4-14-17(20(27)24-7-3-5-15(24)19(21)26)22-25(18(14)16)9-8-23-10-12-29-13-11-23/h2,4,6,15H,3,5,7-13H2,1H3,(H2,21,26)/t15-/m0/s1
InChIKeyLMWBAMRURZGFDW-HNNXBMFYSA-N
MW401.47 g/mol
LogP0.47
Rot. Bonds6

About (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 20604358) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID20604358
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc2c(C(=O)N3CCC[C@H]3C(N)=O)nn(CCN3CCOCC3)c12
InChIInChI=1S/C20H27N5O4/c1-28-16-6-2-4-14-17(20(27)24-7-3-5-15(24)19(21)26)22-25(18(14)16)9-8-23-10-12-29-13-11-23/h2,4,6,15H,3,5,7-13H2,1H3,(H2,21,26)/t15-/m0/s1
InChIKeyLMWBAMRURZGFDW-HNNXBMFYSA-N
XLogP0.47
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604642
7-methoxy-N-(2-methoxy-4-methyl-3-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765431
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604626
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(2,4,6-trimethylphenyl)indazole-3-carboxamide
CID 18765263
7-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604492
N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide
CID 18765386
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
CID 10928335
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)indazole-3-carboxamide
CID 18765507
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropyl)indazole-3-carboxamide
CID 18765265
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765320
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide
CID 20604385

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide (CID 20604358) is (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide is COc1cccc2c(C(=O)N3CCC[C@H]3C(N)=O)nn(CCN3CCOCC3)c12.
What is the InChIKey of (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is LMWBAMRURZGFDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-28-16-6-2-4-14-17(20(27)24-7-3-5-15(24)19(21)26)22-25(18(14)16)9-8-23-10-12-29-13-11-23/h2,4,6,15H,3,5,7-13H2,1H3,(H2,21,26)/t15-/m0/s1.
What are the key properties of (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 20604358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).