6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione

C21H19N5O2 — CID 56749858

IUPAC6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)[nH]c(=O)[nH]1
InChIInChI=1S/C21H19N5O2/c27-19-10-14(22-21(28)23-19)11-26-9-8-18-17(12-26)20(25-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,10H,8-9,11-12H2,(H,24,25)(H2,22,23,27,28)
InChIKeyLOEYRAGGKFWSCT-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.16
Rot. Bonds3

About 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione

6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 56749858) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID56749858
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)[nH]c(=O)[nH]1
InChIInChI=1S/C21H19N5O2/c27-19-10-14(22-21(28)23-19)11-26-9-8-18-17(12-26)20(25-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,10H,8-9,11-12H2,(H,24,25)(H2,22,23,27,28)
InChIKeyLOEYRAGGKFWSCT-UHFFFAOYSA-N
XLogP2.16
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione (CID 56749858) is 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione is O=c1cc(CN2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LOEYRAGGKFWSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-19-10-14(22-21(28)23-19)11-26-9-8-18-17(12-26)20(25-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,10H,8-9,11-12H2,(H,24,25)(H2,22,23,27,28).
What are the key properties of 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione?
6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 373.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56749858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).