5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione

C24H23N7O2 — CID 163385335

IUPAC5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione
SMILESCc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c2n(CC2CC2)c(=O)n3C)cn1
InChIInChI=1S/C24H23N7O2/c1-14-4-7-16(11-25-14)20-21-22(29(3)24(33)30(21)12-15-5-6-15)27-31(23(20)32)18-8-9-19-17(10-18)13-28(2)26-19/h4,7-11,13,15H,5-6,12H2,1-3H3
InChIKeyNCDUSHVZNBSZFG-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.55
Rot. Bonds4

About 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione

5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione (PubChem CID 163385335) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione
PubChem CID163385335
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione
SMILESCc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c2n(CC2CC2)c(=O)n3C)cn1
InChIInChI=1S/C24H23N7O2/c1-14-4-7-16(11-25-14)20-21-22(29(3)24(33)30(21)12-15-5-6-15)27-31(23(20)32)18-8-9-19-17(10-18)13-28(2)26-19/h4,7-11,13,15H,5-6,12H2,1-3H3
InChIKeyNCDUSHVZNBSZFG-UHFFFAOYSA-N
XLogP2.55
TPSA92.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione?
The IUPAC name of 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione (CID 163385335) is 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione.
What is the SMILES notation for 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione?
The canonical SMILES for 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione is Cc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c2n(CC2CC2)c(=O)n3C)cn1.
What is the InChIKey of 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione?
The InChIKey is NCDUSHVZNBSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-14-4-7-16(11-25-14)20-21-22(29(3)24(33)30(21)12-15-5-6-15)27-31(23(20)32)18-8-9-19-17(10-18)13-28(2)26-19/h4,7-11,13,15H,5-6,12H2,1-3H3.
What are the key properties of 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione?
5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione has a molecular weight of 441.50 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione is sourced from PubChem (CID 163385335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).