6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

C22H25N7O3 — CID 122281456

IUPAC6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1nc2c(cc1C(=O)N1CCN(c3cc4c(nn3)CCC4)CC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H25N7O3/c1-13-15(12-16-19(23-13)26(2)22(32)27(3)20(16)30)21(31)29-9-7-28(8-10-29)18-11-14-5-4-6-17(14)24-25-18/h11-12H,4-10H2,1-3H3
InChIKeyBLZDGWFZQQLKQB-UHFFFAOYSA-N
MW435.49 g/mol
LogP0.18
Rot. Bonds2

About 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 122281456) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID122281456
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1nc2c(cc1C(=O)N1CCN(c3cc4c(nn3)CCC4)CC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H25N7O3/c1-13-15(12-16-19(23-13)26(2)22(32)27(3)20(16)30)21(31)29-9-7-28(8-10-29)18-11-14-5-4-6-17(14)24-25-18/h11-12H,4-10H2,1-3H3
InChIKeyBLZDGWFZQQLKQB-UHFFFAOYSA-N
XLogP0.18
TPSA106.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 122281456) is 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1nc2c(cc1C(=O)N1CCN(c3cc4c(nn3)CCC4)CC1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BLZDGWFZQQLKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-13-15(12-16-19(23-13)26(2)22(32)27(3)20(16)30)21(31)29-9-7-28(8-10-29)18-11-14-5-4-6-17(14)24-25-18/h11-12H,4-10H2,1-3H3.
What are the key properties of 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 435.49 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 122281456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).