N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C27H30N6O3 — CID 170634704

IUPACN-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ncc(NC(=O)CN2CCC3(CC3)C2)cc1NC(=O)c1cnc2[nH]c(C3=CCOCC3)cc2c1
InChIInChI=1S/C27H30N6O3/c1-17-22(12-21(14-28-17)30-24(34)15-33-7-6-27(16-33)4-5-27)32-26(35)20-10-19-11-23(31-25(19)29-13-20)18-2-8-36-9-3-18/h2,10-14H,3-9,15-16H2,1H3,(H,29,31)(H,30,34)(H,32,35)
InChIKeyDCSQWIZCABPQGF-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.75
Rot. Bonds6

About N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634704) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID170634704
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC NameN-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ncc(NC(=O)CN2CCC3(CC3)C2)cc1NC(=O)c1cnc2[nH]c(C3=CCOCC3)cc2c1
InChIInChI=1S/C27H30N6O3/c1-17-22(12-21(14-28-17)30-24(34)15-33-7-6-27(16-33)4-5-27)32-26(35)20-10-19-11-23(31-25(19)29-13-20)18-2-8-36-9-3-18/h2,10-14H,3-9,15-16H2,1H3,(H,29,31)(H,30,34)(H,32,35)
InChIKeyDCSQWIZCABPQGF-UHFFFAOYSA-N
XLogP3.75
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634704) is N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ncc(NC(=O)CN2CCC3(CC3)C2)cc1NC(=O)c1cnc2[nH]c(C3=CCOCC3)cc2c1.
What is the InChIKey of N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is DCSQWIZCABPQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-17-22(12-21(14-28-17)30-24(34)15-33-7-6-27(16-33)4-5-27)32-26(35)20-10-19-11-23(31-25(19)29-13-20)18-2-8-36-9-3-18/h2,10-14H,3-9,15-16H2,1H3,(H,29,31)(H,30,34)(H,32,35).
What are the key properties of N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).