1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione

C16H17N5O2 — CID 170350224

IUPAC1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccc3nn(C4CCNCC4)cc3c2)c(=O)[nH]1
InChIInChI=1S/C16H17N5O2/c22-15-5-8-20(16(23)18-15)13-1-2-14-11(9-13)10-21(19-14)12-3-6-17-7-4-12/h1-2,5,8-10,12,17H,3-4,6-7H2,(H,18,22,23)
InChIKeyLZYKSYYVISKKRJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.80
Rot. Bonds2

About 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione

1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione (PubChem CID 170350224) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione
PubChem CID170350224
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccc3nn(C4CCNCC4)cc3c2)c(=O)[nH]1
InChIInChI=1S/C16H17N5O2/c22-15-5-8-20(16(23)18-15)13-1-2-14-11(9-13)10-21(19-14)12-3-6-17-7-4-12/h1-2,5,8-10,12,17H,3-4,6-7H2,(H,18,22,23)
InChIKeyLZYKSYYVISKKRJ-UHFFFAOYSA-N
XLogP0.80
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-pyrrolidin-3-ylindazole
CID 169087490
3-(2-methylindazol-5-yl)-7-piperidin-4-ylquinazolin-4-one
CID 156889049
1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione
CID 170350288
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
2-piperidin-4-yl-6-(2H-pyrimidin-1-yl)indazole
CID 175423387
2-cyclobutylindazol-5-amine
CID 90308963
2-cyclopentylindazol-5-amine
CID 90309184
(2-cyclopropylindazol-5-yl)boronic acid
CID 155893680
3-(2-methylindazol-5-yl)-7-(piperidin-4-ylamino)quinazolin-4-one
CID 156889079
1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride
CID 174219883
5-methyl-2-(1-methylpiperidin-4-yl)indazole
CID 164997785
5-[3-(2,4-dioxopyrimidin-1-yl)quinolin-6-yl]oxypentanal
CID 135261925

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione (CID 170350224) is 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione is O=c1ccn(-c2ccc3nn(C4CCNCC4)cc3c2)c(=O)[nH]1.
What is the InChIKey of 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione?
The InChIKey is LZYKSYYVISKKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15-5-8-20(16(23)18-15)13-1-2-14-11(9-13)10-21(19-14)12-3-6-17-7-4-12/h1-2,5,8-10,12,17H,3-4,6-7H2,(H,18,22,23).
What are the key properties of 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione?
1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione has a molecular weight of 311.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 170350224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).