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

C25H23N7O2 — CID 163385256

IUPAC5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
SMILESCc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(C(N)=O)cn(CC4CC4)c23)cn1
InChIInChI=1S/C25H23N7O2/c1-14-3-6-16(10-27-14)21-23-22(19(24(26)33)13-31(23)11-15-4-5-15)29-32(25(21)34)18-7-8-20-17(9-18)12-30(2)28-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3,(H2,26,33)
InChIKeyDMQYWHQWOSVXQD-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.95
Rot. Bonds5

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

5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide (PubChem CID 163385256) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
PubChem CID163385256
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
SMILESCc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(C(N)=O)cn(CC4CC4)c23)cn1
InChIInChI=1S/C25H23N7O2/c1-14-3-6-16(10-27-14)21-23-22(19(24(26)33)13-31(23)11-15-4-5-15)29-32(25(21)34)18-7-8-20-17(9-18)12-30(2)28-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3,(H2,26,33)
InChIKeyDMQYWHQWOSVXQD-UHFFFAOYSA-N
XLogP2.95
TPSA113.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
CID 163385201
5-(cyclopropylmethyl)-7-iodo-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385273
5-(cyclopropylmethyl)-7-methyl-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridazine-3,6-dione
CID 163385335
5-(cyclopropylmethyl)-4-(4-cyclopropylphenyl)-N-methyl-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide
CID 163385309
5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-7-iodo-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385382
5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide
CID 163385401
5-(cyclopropylmethyl)-4-[6-(hydroxymethyl)-3-pyridinyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385301
4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)-5-(2-methylpropyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile
CID 163385337
4-chloro-5-(cyclopropylmethyl)-6-methyl-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385298
4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
CID 165053047
2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine
CID 165022227
CID 174040705
CID 174040705

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide (CID 163385256) is 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide is Cc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(C(N)=O)cn(CC4CC4)c23)cn1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide?
The InChIKey is DMQYWHQWOSVXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-14-3-6-16(10-27-14)21-23-22(19(24(26)33)13-31(23)11-15-4-5-15)29-32(25(21)34)18-7-8-20-17(9-18)12-30(2)28-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3,(H2,26,33).
What are the key properties of 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide?
5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-3-oxopyrrolo[3,2-c]pyridazine-7-carboxamide is sourced from PubChem (CID 163385256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).