N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

C27H32N4O4S — CID 168876859

IUPACN-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc(OCC4CCSCC4)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1
InChIInChI=1S/C27H32N4O4S/c1-17(32)29-25-11-20-21(14-31(2)23(20)13-28-25)22-12-24(34-15-18-4-9-36-10-5-18)19-3-7-35-27(26(19)30-22)6-8-33-16-27/h11-14,18H,3-10,15-16H2,1-2H3,(H,28,29,32)
InChIKeyDWGFDIZICHFOPC-UHFFFAOYSA-N
MW508.64 g/mol
LogP4.30
Rot. Bonds5

About N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 168876859) has the molecular formula C27H32N4O4S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID168876859
Molecular FormulaC27H32N4O4S
Molecular Weight508.64 g/mol
Exact Mass508.21
IUPAC NameN-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc(OCC4CCSCC4)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1
InChIInChI=1S/C27H32N4O4S/c1-17(32)29-25-11-20-21(14-31(2)23(20)13-28-25)22-12-24(34-15-18-4-9-36-10-5-18)19-3-7-35-27(26(19)30-22)6-8-33-16-27/h11-14,18H,3-10,15-16H2,1-2H3,(H,28,29,32)
InChIKeyDWGFDIZICHFOPC-UHFFFAOYSA-N
XLogP4.30
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide with MolForge

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Related Compounds

N-[1-methyl-3-[4-[2-(oxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011604
N-[3-[4-[2-(3-fluorooxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011606
N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170012414
N-[3-[4-[2-(3-methoxyoxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011602
N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876887
N-[3-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 169305641
N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide
CID 170012424
N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876994
N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876970
N-[1-methyl-3-[6-methylsulfonyl-4-(oxetan-3-ylmethoxy)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694301
N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
N-[3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-propoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139482485

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 168876859) is N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cc(OCC4CCSCC4)c4c(n3)C3(CCOC3)OCC4)cn(C)c2cn1.
What is the InChIKey of N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is DWGFDIZICHFOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4S/c1-17(32)29-25-11-20-21(14-31(2)23(20)13-28-25)22-12-24(34-15-18-4-9-36-10-5-18)19-3-7-35-27(26(19)30-22)6-8-33-16-27/h11-14,18H,3-10,15-16H2,1-2H3,(H,28,29,32).
What are the key properties of N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 508.64 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 168876859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).