3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C23H26N6O2 — CID 170288083

IUPAC3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(c2cnn3ccc(CC4CCN(Cc5cccnc5)C4)cc23)C1=O
InChIInChI=1S/C23H26N6O2/c1-26-22(30)6-9-28(23(26)31)21-14-25-29-10-5-17(12-20(21)29)11-18-4-8-27(15-18)16-19-3-2-7-24-13-19/h2-3,5,7,10,12-14,18H,4,6,8-9,11,15-16H2,1H3
InChIKeyTUVNZKPCMIJYLM-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.58
Rot. Bonds5

About 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 170288083) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID170288083
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(c2cnn3ccc(CC4CCN(Cc5cccnc5)C4)cc23)C1=O
InChIInChI=1S/C23H26N6O2/c1-26-22(30)6-9-28(23(26)31)21-14-25-29-10-5-17(12-20(21)29)11-18-4-8-27(15-18)16-19-3-2-7-24-13-19/h2-3,5,7,10,12-14,18H,4,6,8-9,11,15-16H2,1H3
InChIKeyTUVNZKPCMIJYLM-UHFFFAOYSA-N
XLogP2.58
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 170288083) is 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is CN1C(=O)CCN(c2cnn3ccc(CC4CCN(Cc5cccnc5)C4)cc23)C1=O.
What is the InChIKey of 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is TUVNZKPCMIJYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-26-22(30)6-9-28(23(26)31)21-14-25-29-10-5-17(12-20(21)29)11-18-4-8-27(15-18)16-19-3-2-7-24-13-19/h2-3,5,7,10,12-14,18H,4,6,8-9,11,15-16H2,1H3.
What are the key properties of 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 418.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170288083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).