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

C27H29N5O2S — CID 71549884

IUPACN-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1)C(c1ccsc1)N1CCCC1
InChIInChI=1S/C27H29N5O2S/c33-27(26(20-9-16-35-18-20)32-10-1-2-11-32)28-21-5-8-24-23(17-21)25(30-29-24)19-3-6-22(7-4-19)31-12-14-34-15-13-31/h3-9,16-18,26H,1-2,10-15H2,(H,28,33)(H,29,30)
InChIKeyRPQWTANNYCPWND-UHFFFAOYSA-N
MW487.63 g/mol
LogP4.90
Rot. Bonds6

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

N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide (PubChem CID 71549884) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
PubChem CID71549884
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC NameN-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1)C(c1ccsc1)N1CCCC1
InChIInChI=1S/C27H29N5O2S/c33-27(26(20-9-16-35-18-20)32-10-1-2-11-32)28-21-5-8-24-23(17-21)25(30-29-24)19-3-6-22(7-4-19)31-12-14-34-15-13-31/h3-9,16-18,26H,1-2,10-15H2,(H,28,33)(H,29,30)
InChIKeyRPQWTANNYCPWND-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide (CID 71549884) is N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide is O=C(Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1)C(c1ccsc1)N1CCCC1.
What is the InChIKey of N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide?
The InChIKey is RPQWTANNYCPWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c33-27(26(20-9-16-35-18-20)32-10-1-2-11-32)28-21-5-8-24-23(17-21)25(30-29-24)19-3-6-22(7-4-19)31-12-14-34-15-13-31/h3-9,16-18,26H,1-2,10-15H2,(H,28,33)(H,29,30).
What are the key properties of N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide?
N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-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 N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 71549884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).