6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide

C22H24N8O2 — CID 175525775

IUPAC6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(C2(C(N)=O)CC2)cc1Nc1cccc2c1N(C)Cc1cc(C)nn1-2
InChIInChI=1S/C22H24N8O2/c1-12-9-13-11-29(3)19-14(5-4-6-16(19)30(13)28-12)25-15-10-17(22(7-8-22)21(23)32)26-27-18(15)20(31)24-2/h4-6,9-10H,7-8,11H2,1-3H3,(H2,23,32)(H,24,31)(H,25,26)
InChIKeySWBPEICKFWYZJQ-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.54
Rot. Bonds5

About 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide

6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 175525775) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID175525775
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(C2(C(N)=O)CC2)cc1Nc1cccc2c1N(C)Cc1cc(C)nn1-2
InChIInChI=1S/C22H24N8O2/c1-12-9-13-11-29(3)19-14(5-4-6-16(19)30(13)28-12)25-15-10-17(22(7-8-22)21(23)32)26-27-18(15)20(31)24-2/h4-6,9-10H,7-8,11H2,1-3H3,(H2,23,32)(H,24,31)(H,25,26)
InChIKeySWBPEICKFWYZJQ-UHFFFAOYSA-N
XLogP1.54
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide (CID 175525775) is 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(C2(C(N)=O)CC2)cc1Nc1cccc2c1N(C)Cc1cc(C)nn1-2.
What is the InChIKey of 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is SWBPEICKFWYZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-12-9-13-11-29(3)19-14(5-4-6-16(19)30(13)28-12)25-15-10-17(22(7-8-22)21(23)32)26-27-18(15)20(31)24-2/h4-6,9-10H,7-8,11H2,1-3H3,(H2,23,32)(H,24,31)(H,25,26).
What are the key properties of 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide?
6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 175525775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).