(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide

C27H29N5O2S — CID 134567176

IUPAC(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1)[C@H](c1cccs1)N1CCCC1
InChIInChI=1S/C27H29N5O2S/c33-27(26(24-4-3-17-35-24)32-11-1-2-12-32)28-20-7-10-23-22(18-20)25(30-29-23)19-5-8-21(9-6-19)31-13-15-34-16-14-31/h3-10,17-18,26H,1-2,11-16H2,(H,28,33)(H,29,30)/t26-/m0/s1
InChIKeyDNIGSJVNXXHSRD-SANMLTNESA-N
MW487.63 g/mol
LogP4.90
Rot. Bonds6

About (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide

(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide (PubChem CID 134567176) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide
PubChem CID134567176
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC Name(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1)[C@H](c1cccs1)N1CCCC1
InChIInChI=1S/C27H29N5O2S/c33-27(26(24-4-3-17-35-24)32-11-1-2-12-32)28-20-7-10-23-22(18-20)25(30-29-23)19-5-8-21(9-6-19)31-13-15-34-16-14-31/h3-10,17-18,26H,1-2,11-16H2,(H,28,33)(H,29,30)/t26-/m0/s1
InChIKeyDNIGSJVNXXHSRD-SANMLTNESA-N
XLogP4.90
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 71549883
1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea
CID 86710981
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
CID 86710928
2-(azetidin-1-yl)-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 86711069
6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide
CID 155134882
N-[3-[4-[1-(2-fluoroethyl)piperidin-4-yl]oxyphenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 86710994
3-[3-(3-methyl-4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-1-pyrrolidin-1-yl-1-thiophen-3-ylpropan-2-one
CID 157413607
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide
CID 166187982
(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9030001
(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 24866313
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724682

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide?
The IUPAC name of (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide (CID 134567176) is (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide.
What is the SMILES notation for (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide?
The canonical SMILES for (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide is O=C(Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1)[C@H](c1cccs1)N1CCCC1.
What is the InChIKey of (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide?
The InChIKey is DNIGSJVNXXHSRD-SANMLTNESA-N. The full InChI is InChI=1S/C27H29N5O2S/c33-27(26(24-4-3-17-35-24)32-11-1-2-12-32)28-20-7-10-23-22(18-20)25(30-29-23)19-5-8-21(9-6-19)31-13-15-34-16-14-31/h3-10,17-18,26H,1-2,11-16H2,(H,28,33)(H,29,30)/t26-/m0/s1.
What are the key properties of (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide?
(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide has a molecular weight of 487.63 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 134567176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).