(1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone

C20H21N7O — CID 131679801

IUPAC(1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone
SMILESCn1cnc(C(=O)N2CCC3(C2)CN(Cc2ccccn2)c2cccnc23)n1
InChIInChI=1S/C20H21N7O/c1-25-14-23-18(24-25)19(28)26-10-7-20(12-26)13-27(11-15-5-2-3-8-21-15)16-6-4-9-22-17(16)20/h2-6,8-9,14H,7,10-13H2,1H3
InChIKeyLAUGGYMPOWTIKX-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.41
Rot. Bonds3

About (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone

(1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone (PubChem CID 131679801) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone.

Molecular Properties

Compound Name(1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone
PubChem CID131679801
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone
SMILESCn1cnc(C(=O)N2CCC3(C2)CN(Cc2ccccn2)c2cccnc23)n1
InChIInChI=1S/C20H21N7O/c1-25-14-23-18(24-25)19(28)26-10-7-20(12-26)13-27(11-15-5-2-3-8-21-15)16-6-4-9-22-17(16)20/h2-6,8-9,14H,7,10-13H2,1H3
InChIKeyLAUGGYMPOWTIKX-UHFFFAOYSA-N
XLogP1.41
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1'-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131672294
1-(1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 171693310
7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644513
N,N-dimethyl-1-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370311
7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642186
3-methyl-1-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]butan-1-one
CID 131669738
3-phenyl-1-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]propan-1-one
CID 131672280
(4-methylphenyl)-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 155865655
7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641736
(5-methylfuran-2-yl)-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 171694567
2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131688867
7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176506532

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone?
The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone (CID 131679801) is (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone.
What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone?
The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone is Cn1cnc(C(=O)N2CCC3(C2)CN(Cc2ccccn2)c2cccnc23)n1.
What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone?
The InChIKey is LAUGGYMPOWTIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-25-14-23-18(24-25)19(28)26-10-7-20(12-26)13-27(11-15-5-2-3-8-21-15)16-6-4-9-22-17(16)20/h2-6,8-9,14H,7,10-13H2,1H3.
What are the key properties of (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone?
(1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone has a molecular weight of 375.44 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone is sourced from PubChem (CID 131679801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).