6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione

C22H26N8O3 — CID 58638767

IUPAC6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1nn[nH]n1)N1CCC(Cn2c(=O)cc(Nc3ccc4c(c3)CCC4)[nH]c2=O)CC1
InChIInChI=1S/C22H26N8O3/c31-20(12-19-25-27-28-26-19)29-8-6-14(7-9-29)13-30-21(32)11-18(24-22(30)33)23-17-5-4-15-2-1-3-16(15)10-17/h4-5,10-11,14,23H,1-3,6-9,12-13H2,(H,24,33)(H,25,26,27,28)
InChIKeyXOWZTIGZVJLLHZ-UHFFFAOYSA-N
MW450.50 g/mol
LogP0.76
Rot. Bonds6

About 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione

6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 58638767) has the molecular formula C22H26N8O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID58638767
Molecular FormulaC22H26N8O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1nn[nH]n1)N1CCC(Cn2c(=O)cc(Nc3ccc4c(c3)CCC4)[nH]c2=O)CC1
InChIInChI=1S/C22H26N8O3/c31-20(12-19-25-27-28-26-19)29-8-6-14(7-9-29)13-30-21(32)11-18(24-22(30)33)23-17-5-4-15-2-1-3-16(15)10-17/h4-5,10-11,14,23H,1-3,6-9,12-13H2,(H,24,33)(H,25,26,27,28)
InChIKeyXOWZTIGZVJLLHZ-UHFFFAOYSA-N
XLogP0.76
TPSA141.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione (CID 58638767) is 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione is O=C(Cc1nn[nH]n1)N1CCC(Cn2c(=O)cc(Nc3ccc4c(c3)CCC4)[nH]c2=O)CC1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XOWZTIGZVJLLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O3/c31-20(12-19-25-27-28-26-19)29-8-6-14(7-9-29)13-30-21(32)11-18(24-22(30)33)23-17-5-4-15-2-1-3-16(15)10-17/h4-5,10-11,14,23H,1-3,6-9,12-13H2,(H,24,33)(H,25,26,27,28).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 450.50 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58638767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).