N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

C27H33N5O3 — CID 175885288

IUPACN-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILES[2H]C([2H])([2H])N1CC2(CC(c3cn(-c4cc(C)cc([C@]5(OC)CCOC5)n4)c4cc(NC(C)=O)ncc34)C2)C1
InChIInChI=1S/C27H33N5O3/c1-17-7-23(27(34-4)5-6-35-16-27)30-25(8-17)32-13-21(19-10-26(11-19)14-31(3)15-26)20-12-28-24(9-22(20)32)29-18(2)33/h7-9,12-13,19H,5-6,10-11,14-16H2,1-4H3,(H,28,29,33)/t27-/m0/s1/i3D3
InChIKeyNITYXQQSVBSNEY-ZOQQQWHXSA-N
MW478.61 g/mol
LogP3.76
Rot. Bonds6

About N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (PubChem CID 175885288) has the molecular formula C27H33N5O3 and a molecular weight of 478.61 g/mol. Its IUPAC name is N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
PubChem CID175885288
Molecular FormulaC27H33N5O3
Molecular Weight478.61 g/mol
Exact Mass478.28
IUPAC NameN-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILES[2H]C([2H])([2H])N1CC2(CC(c3cn(-c4cc(C)cc([C@]5(OC)CCOC5)n4)c4cc(NC(C)=O)ncc34)C2)C1
InChIInChI=1S/C27H33N5O3/c1-17-7-23(27(34-4)5-6-35-16-27)30-25(8-17)32-13-21(19-10-26(11-19)14-31(3)15-26)20-12-28-24(9-22(20)32)29-18(2)33/h7-9,12-13,19H,5-6,10-11,14-16H2,1-4H3,(H,28,29,33)/t27-/m0/s1/i3D3
InChIKeyNITYXQQSVBSNEY-ZOQQQWHXSA-N
XLogP3.76
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide 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 N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (CID 175885288) is N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is [2H]C([2H])([2H])N1CC2(CC(c3cn(-c4cc(C)cc([C@]5(OC)CCOC5)n4)c4cc(NC(C)=O)ncc34)C2)C1.
What is the InChIKey of N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The InChIKey is NITYXQQSVBSNEY-ZOQQQWHXSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-17-7-23(27(34-4)5-6-35-16-27)30-25(8-17)32-13-21(19-10-26(11-19)14-31(3)15-26)20-12-28-24(9-22(20)32)29-18(2)33/h7-9,12-13,19H,5-6,10-11,14-16H2,1-4H3,(H,28,29,33)/t27-/m0/s1/i3D3.
What are the key properties of N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide has a molecular weight of 478.61 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 175885288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).