ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate

C30H38N4O5 — CID 163261713

IUPACethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2cn(-c3cc(C)cc([C@]4(OC)CCOC4)n3)c3cc(NC(C)=O)ncc23)CC1
InChIInChI=1S/C30H38N4O5/c1-5-39-29(36)14-21-6-8-22(9-7-21)24-17-34(25-15-27(32-20(3)35)31-16-23(24)25)28-13-19(2)12-26(33-28)30(37-4)10-11-38-18-30/h12-13,15-17,21-22H,5-11,14,18H2,1-4H3,(H,31,32,35)/t21?,22?,30-/m0/s1
InChIKeyFCXCNONRQUCRDD-JZNUIYJTSA-N
MW534.66 g/mol
LogP5.18
Rot. Bonds8

About ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate

ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate (PubChem CID 163261713) has the molecular formula C30H38N4O5 and a molecular weight of 534.66 g/mol. Its IUPAC name is ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate
PubChem CID163261713
Molecular FormulaC30H38N4O5
Molecular Weight534.66 g/mol
Exact Mass534.28
IUPAC Nameethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2cn(-c3cc(C)cc([C@]4(OC)CCOC4)n3)c3cc(NC(C)=O)ncc23)CC1
InChIInChI=1S/C30H38N4O5/c1-5-39-29(36)14-21-6-8-22(9-7-21)24-17-34(25-15-27(32-20(3)35)31-16-23(24)25)28-13-19(2)12-26(33-28)30(37-4)10-11-38-18-30/h12-13,15-17,21-22H,5-11,14,18H2,1-4H3,(H,31,32,35)/t21?,22?,30-/m0/s1
InChIKeyFCXCNONRQUCRDD-JZNUIYJTSA-N
XLogP5.18
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate (CID 163261713) is ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate is CCOC(=O)CC1CCC(c2cn(-c3cc(C)cc([C@]4(OC)CCOC4)n3)c3cc(NC(C)=O)ncc23)CC1.
What is the InChIKey of ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate?
The InChIKey is FCXCNONRQUCRDD-JZNUIYJTSA-N. The full InChI is InChI=1S/C30H38N4O5/c1-5-39-29(36)14-21-6-8-22(9-7-21)24-17-34(25-15-27(32-20(3)35)31-16-23(24)25)28-13-19(2)12-26(33-28)30(37-4)10-11-38-18-30/h12-13,15-17,21-22H,5-11,14,18H2,1-4H3,(H,31,32,35)/t21?,22?,30-/m0/s1.
What are the key properties of ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate?
ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate has a molecular weight of 534.66 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate is sourced from PubChem (CID 163261713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).