N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

C24H30N6O3 — CID 177149789

IUPACN-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCO[C@H]1CCN(c2cc(-c3cn(C)c4cnc(NC(C)=O)cc34)nn(C3(C)CCC3)c2=O)C1
InChIInChI=1S/C24H30N6O3/c1-15(31)26-22-10-17-18(14-28(3)21(17)12-25-22)19-11-20(29-9-6-16(13-29)33-4)23(32)30(27-19)24(2)7-5-8-24/h10-12,14,16H,5-9,13H2,1-4H3,(H,25,26,31)/t16-/m0/s1
InChIKeyHUSVJRGUVISQGF-INIZCTEOSA-N
MW450.54 g/mol
LogP2.88
Rot. Bonds5

About N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 177149789) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID177149789
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCO[C@H]1CCN(c2cc(-c3cn(C)c4cnc(NC(C)=O)cc34)nn(C3(C)CCC3)c2=O)C1
InChIInChI=1S/C24H30N6O3/c1-15(31)26-22-10-17-18(14-28(3)21(17)12-25-22)19-11-20(29-9-6-16(13-29)33-4)23(32)30(27-19)24(2)7-5-8-24/h10-12,14,16H,5-9,13H2,1-4H3,(H,25,26,31)/t16-/m0/s1
InChIKeyHUSVJRGUVISQGF-INIZCTEOSA-N
XLogP2.88
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 177149789) is N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is CO[C@H]1CCN(c2cc(-c3cn(C)c4cnc(NC(C)=O)cc34)nn(C3(C)CCC3)c2=O)C1.
What is the InChIKey of N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is HUSVJRGUVISQGF-INIZCTEOSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-15(31)26-22-10-17-18(14-28(3)21(17)12-25-22)19-11-20(29-9-6-16(13-29)33-4)23(32)30(27-19)24(2)7-5-8-24/h10-12,14,16H,5-9,13H2,1-4H3,(H,25,26,31)/t16-/m0/s1.
What are the key properties of N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 177149789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).